USER MOD reduce.3.24.130724 H: found=0, std=0, add=809, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 811 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 32 CYS SG : rot 173:sc= 0.48 USER MOD Set 1.2: A 35 CYS SG : rot 69:sc= -0.402 USER MOD Set 2.1: A 8 THR OG1 : rot -33:sc= 1.1 USER MOD Set 2.2: A 11 SER OG : rot 169:sc= 1.9 USER MOD Single : A 6 HIS : no HD1:sc= -0.03 X(o=-0.03,f=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.0413 USER MOD Single : A 18 LYS NZ :NH3+ 167:sc=-0.00609 (180deg=-0.166) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 125:sc= 0.0397 USER MOD Single : A 50 GLN :FLIP amide:sc= 0 F(o=-0.57,f=0) USER MOD Single : A 52 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0346) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ -170:sc= 0.921 (180deg=0.816) USER MOD Single : A 59 ASN : amide:sc= 1.72 K(o=1.7,f=-9.4!) USER MOD Single : A 62 GLN : amide:sc= -0.245 X(o=-0.24,f=-0.037) USER MOD Single : A 63 ASN : amide:sc= 1.63 K(o=1.6,f=-5.5!) USER MOD Single : A 66 THR OG1 : rot 72:sc= 1.2 USER MOD Single : A 69 LYS NZ :NH3+ -173:sc= 0.706 (180deg=0.68) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 THR OG1 : rot -49:sc= 1.12 USER MOD Single : A 82 LYS NZ :NH3+ -170:sc= -0.0964 (180deg=-0.274) USER MOD Single : A 83 ASN : amide:sc= 0.792 K(o=0.79,f=0) USER MOD Single : A 89 THR OG1 : rot 40:sc= 1.62 USER MOD Single : A 90 LYS NZ :NH3+ 152:sc= 0.512 (180deg=-0.173) USER MOD Single : A 95 SER OG : rot 180:sc= 0.0328 USER MOD Single : A 96 LYS NZ :NH3+ 163:sc= 0.531 (180deg=0.0584) USER MOD Single : A 98 GLN : amide:sc= 0.541 K(o=0.54,f=0) USER MOD Single : A 100 LYS NZ :NH3+ 179:sc= 0.857 (180deg=0.856) USER MOD Single : A 106 ASN : amide:sc= 0.526 K(o=0.53,f=-5!) USER MOD ----------------------------------------------------------------- ATOM 46 N ILE A 4 -9.489 -2.256 -9.440 1.00 0.00 N ATOM 47 CA ILE A 4 -8.099 -2.553 -9.129 1.00 0.00 C ATOM 48 C ILE A 4 -7.666 -3.843 -9.814 1.00 0.00 C ATOM 49 O ILE A 4 -8.377 -4.847 -9.765 1.00 0.00 O ATOM 50 CB ILE A 4 -7.864 -2.654 -7.616 1.00 0.00 C ATOM 51 CG1 ILE A 4 -8.332 -1.359 -6.934 1.00 0.00 C ATOM 52 CG2 ILE A 4 -6.386 -2.944 -7.319 1.00 0.00 C ATOM 53 CD1 ILE A 4 -7.920 -1.288 -5.464 1.00 0.00 C ATOM 0 HA ILE A 4 -7.495 -1.727 -9.505 1.00 0.00 H new ATOM 0 HB ILE A 4 -8.446 -3.483 -7.214 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -7.918 -0.502 -7.466 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -9.417 -1.285 -7.008 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -6.238 -3.012 -6.241 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -6.099 -3.887 -7.785 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -5.770 -2.139 -7.720 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -8.276 -0.353 -5.031 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -8.356 -2.128 -4.923 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -6.834 -1.332 -5.388 1.00 0.00 H new ATOM 65 N ILE A 5 -6.471 -3.806 -10.403 1.00 0.00 N ATOM 66 CA ILE A 5 -5.846 -4.941 -11.072 1.00 0.00 C ATOM 67 C ILE A 5 -4.996 -5.721 -10.060 1.00 0.00 C ATOM 68 O ILE A 5 -3.996 -5.203 -9.561 1.00 0.00 O ATOM 69 CB ILE A 5 -4.994 -4.440 -12.254 1.00 0.00 C ATOM 70 CG1 ILE A 5 -5.768 -3.500 -13.198 1.00 0.00 C ATOM 71 CG2 ILE A 5 -4.388 -5.618 -13.035 1.00 0.00 C ATOM 72 CD1 ILE A 5 -7.066 -4.089 -13.764 1.00 0.00 C ATOM 0 H ILE A 5 -5.898 -2.963 -10.427 1.00 0.00 H new ATOM 0 HA ILE A 5 -6.609 -5.611 -11.467 1.00 0.00 H new ATOM 0 HB ILE A 5 -4.185 -3.851 -11.822 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -6.005 -2.582 -12.660 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -5.118 -3.224 -14.028 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -3.792 -5.237 -13.864 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -3.754 -6.206 -12.372 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -5.189 -6.247 -13.424 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -7.543 -3.358 -14.417 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -6.839 -4.990 -14.333 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -7.740 -4.338 -12.945 1.00 0.00 H new ATOM 84 N HIS A 6 -5.365 -6.966 -9.749 1.00 0.00 N ATOM 85 CA HIS A 6 -4.591 -7.792 -8.826 1.00 0.00 C ATOM 86 C HIS A 6 -3.462 -8.475 -9.600 1.00 0.00 C ATOM 87 O HIS A 6 -3.710 -9.420 -10.346 1.00 0.00 O ATOM 88 CB HIS A 6 -5.485 -8.788 -8.082 1.00 0.00 C ATOM 89 CG HIS A 6 -6.216 -8.142 -6.929 1.00 0.00 C ATOM 90 ND1 HIS A 6 -6.147 -8.524 -5.602 1.00 0.00 N ATOM 91 CD2 HIS A 6 -6.997 -7.024 -7.004 1.00 0.00 C ATOM 92 CE1 HIS A 6 -6.894 -7.662 -4.888 1.00 0.00 C ATOM 93 NE2 HIS A 6 -7.428 -6.748 -5.722 1.00 0.00 N ATOM 0 H HIS A 6 -6.196 -7.422 -10.125 1.00 0.00 H new ATOM 0 HA HIS A 6 -4.146 -7.163 -8.055 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -6.209 -9.214 -8.777 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -4.877 -9.612 -7.709 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -7.232 -6.463 -7.896 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -7.042 -7.697 -3.819 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -8.046 -5.982 -5.452 1.00 0.00 H new ATOM 102 N LEU A 7 -2.231 -7.987 -9.430 1.00 0.00 N ATOM 103 CA LEU A 7 -1.045 -8.487 -10.104 1.00 0.00 C ATOM 104 C LEU A 7 -0.399 -9.631 -9.332 1.00 0.00 C ATOM 105 O LEU A 7 -0.631 -9.818 -8.135 1.00 0.00 O ATOM 106 CB LEU A 7 -0.017 -7.355 -10.210 1.00 0.00 C ATOM 107 CG LEU A 7 -0.474 -6.181 -11.080 1.00 0.00 C ATOM 108 CD1 LEU A 7 0.449 -4.994 -10.797 1.00 0.00 C ATOM 109 CD2 LEU A 7 -0.420 -6.539 -12.565 1.00 0.00 C ATOM 0 H LEU A 7 -2.033 -7.210 -8.799 1.00 0.00 H new ATOM 0 HA LEU A 7 -1.348 -8.849 -11.086 1.00 0.00 H new ATOM 0 HB2 LEU A 7 0.208 -6.987 -9.209 1.00 0.00 H new ATOM 0 HB3 LEU A 7 0.911 -7.757 -10.618 1.00 0.00 H new ATOM 0 HG LEU A 7 -1.508 -5.933 -10.839 1.00 0.00 H new ATOM 0 HD11 LEU A 7 0.144 -4.143 -11.406 1.00 0.00 H new ATOM 0 HD12 LEU A 7 0.385 -4.727 -9.742 1.00 0.00 H new ATOM 0 HD13 LEU A 7 1.476 -5.265 -11.041 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -0.750 -5.686 -13.157 1.00 0.00 H new ATOM 0 HD22 LEU A 7 0.603 -6.798 -12.840 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -1.074 -7.389 -12.758 1.00 0.00 H new ATOM 121 N THR A 8 0.471 -10.353 -10.034 1.00 0.00 N ATOM 122 CA THR A 8 1.302 -11.422 -9.526 1.00 0.00 C ATOM 123 C THR A 8 2.677 -11.242 -10.169 1.00 0.00 C ATOM 124 O THR A 8 2.802 -10.511 -11.151 1.00 0.00 O ATOM 125 CB THR A 8 0.693 -12.790 -9.872 1.00 0.00 C ATOM 126 OG1 THR A 8 0.685 -12.985 -11.278 1.00 0.00 O ATOM 127 CG2 THR A 8 -0.733 -12.933 -9.334 1.00 0.00 C ATOM 0 H THR A 8 0.617 -10.192 -11.030 1.00 0.00 H new ATOM 0 HA THR A 8 1.380 -11.386 -8.439 1.00 0.00 H new ATOM 0 HB THR A 8 1.315 -13.548 -9.396 1.00 0.00 H new ATOM 0 HG1 THR A 8 0.552 -12.124 -11.727 1.00 0.00 H new ATOM 0 HG21 THR A 8 -1.126 -13.914 -9.601 1.00 0.00 H new ATOM 0 HG22 THR A 8 -0.725 -12.828 -8.249 1.00 0.00 H new ATOM 0 HG23 THR A 8 -1.365 -12.159 -9.769 1.00 0.00 H new ATOM 135 N ASP A 9 3.707 -11.907 -9.649 1.00 0.00 N ATOM 136 CA ASP A 9 5.059 -11.824 -10.183 1.00 0.00 C ATOM 137 C ASP A 9 5.060 -12.184 -11.673 1.00 0.00 C ATOM 138 O ASP A 9 5.666 -11.494 -12.486 1.00 0.00 O ATOM 139 CB ASP A 9 5.972 -12.745 -9.365 1.00 0.00 C ATOM 140 CG ASP A 9 7.432 -12.599 -9.781 1.00 0.00 C ATOM 141 OD1 ASP A 9 7.826 -13.308 -10.732 1.00 0.00 O ATOM 142 OD2 ASP A 9 8.138 -11.795 -9.134 1.00 0.00 O ATOM 0 H ASP A 9 3.623 -12.522 -8.840 1.00 0.00 H new ATOM 0 HA ASP A 9 5.438 -10.805 -10.101 1.00 0.00 H new ATOM 0 HB2 ASP A 9 5.870 -12.512 -8.305 1.00 0.00 H new ATOM 0 HB3 ASP A 9 5.657 -13.780 -9.496 1.00 0.00 H new ATOM 147 N ASP A 10 4.345 -13.257 -12.019 1.00 0.00 N ATOM 148 CA ASP A 10 4.212 -13.737 -13.388 1.00 0.00 C ATOM 149 C ASP A 10 3.586 -12.689 -14.316 1.00 0.00 C ATOM 150 O ASP A 10 4.051 -12.503 -15.437 1.00 0.00 O ATOM 151 CB ASP A 10 3.375 -15.020 -13.390 1.00 0.00 C ATOM 152 CG ASP A 10 3.121 -15.517 -14.811 1.00 0.00 C ATOM 153 OD1 ASP A 10 4.033 -16.177 -15.353 1.00 0.00 O ATOM 154 OD2 ASP A 10 2.017 -15.227 -15.322 1.00 0.00 O ATOM 0 H ASP A 10 3.835 -13.823 -11.341 1.00 0.00 H new ATOM 0 HA ASP A 10 5.211 -13.940 -13.774 1.00 0.00 H new ATOM 0 HB2 ASP A 10 3.890 -15.793 -12.819 1.00 0.00 H new ATOM 0 HB3 ASP A 10 2.423 -14.836 -12.892 1.00 0.00 H new ATOM 159 N SER A 11 2.528 -12.011 -13.864 1.00 0.00 N ATOM 160 CA SER A 11 1.834 -11.032 -14.695 1.00 0.00 C ATOM 161 C SER A 11 2.596 -9.706 -14.742 1.00 0.00 C ATOM 162 O SER A 11 2.528 -8.986 -15.738 1.00 0.00 O ATOM 163 CB SER A 11 0.399 -10.846 -14.184 1.00 0.00 C ATOM 164 OG SER A 11 0.368 -10.674 -12.780 1.00 0.00 O ATOM 0 H SER A 11 2.136 -12.124 -12.929 1.00 0.00 H new ATOM 0 HA SER A 11 1.789 -11.404 -15.718 1.00 0.00 H new ATOM 0 HB2 SER A 11 -0.051 -9.979 -14.668 1.00 0.00 H new ATOM 0 HB3 SER A 11 -0.202 -11.713 -14.459 1.00 0.00 H new ATOM 0 HG SER A 11 -0.527 -10.384 -12.506 1.00 0.00 H new ATOM 170 N PHE A 12 3.311 -9.388 -13.659 1.00 0.00 N ATOM 171 CA PHE A 12 4.089 -8.175 -13.464 1.00 0.00 C ATOM 172 C PHE A 12 4.789 -7.674 -14.729 1.00 0.00 C ATOM 173 O PHE A 12 4.631 -6.519 -15.116 1.00 0.00 O ATOM 174 CB PHE A 12 5.119 -8.413 -12.355 1.00 0.00 C ATOM 175 CG PHE A 12 5.621 -7.131 -11.744 1.00 0.00 C ATOM 176 CD1 PHE A 12 4.869 -6.523 -10.726 1.00 0.00 C ATOM 177 CD2 PHE A 12 6.764 -6.494 -12.254 1.00 0.00 C ATOM 178 CE1 PHE A 12 5.312 -5.326 -10.148 1.00 0.00 C ATOM 179 CE2 PHE A 12 7.166 -5.258 -11.724 1.00 0.00 C ATOM 180 CZ PHE A 12 6.466 -4.698 -10.643 1.00 0.00 C ATOM 0 H PHE A 12 3.361 -10.010 -12.852 1.00 0.00 H new ATOM 0 HA PHE A 12 3.385 -7.391 -13.183 1.00 0.00 H new ATOM 0 HB2 PHE A 12 4.672 -9.031 -11.576 1.00 0.00 H new ATOM 0 HB3 PHE A 12 5.962 -8.972 -12.761 1.00 0.00 H new ATOM 0 HD1 PHE A 12 3.949 -6.978 -10.389 1.00 0.00 H new ATOM 0 HD2 PHE A 12 7.331 -6.953 -13.050 1.00 0.00 H new ATOM 0 HE1 PHE A 12 4.768 -4.888 -9.325 1.00 0.00 H new ATOM 0 HE2 PHE A 12 8.013 -4.738 -12.147 1.00 0.00 H new ATOM 0 HZ PHE A 12 6.816 -3.782 -10.191 1.00 0.00 H new ATOM 190 N ASP A 13 5.586 -8.529 -15.371 1.00 0.00 N ATOM 191 CA ASP A 13 6.329 -8.157 -16.563 1.00 0.00 C ATOM 192 C ASP A 13 5.402 -7.578 -17.632 1.00 0.00 C ATOM 193 O ASP A 13 5.588 -6.455 -18.098 1.00 0.00 O ATOM 194 CB ASP A 13 7.095 -9.375 -17.086 1.00 0.00 C ATOM 195 CG ASP A 13 8.200 -9.805 -16.128 1.00 0.00 C ATOM 196 OD1 ASP A 13 7.845 -10.359 -15.066 1.00 0.00 O ATOM 197 OD2 ASP A 13 9.377 -9.560 -16.470 1.00 0.00 O ATOM 0 H ASP A 13 5.731 -9.495 -15.076 1.00 0.00 H new ATOM 0 HA ASP A 13 7.045 -7.376 -16.307 1.00 0.00 H new ATOM 0 HB2 ASP A 13 6.402 -10.203 -17.236 1.00 0.00 H new ATOM 0 HB3 ASP A 13 7.528 -9.141 -18.059 1.00 0.00 H new ATOM 202 N THR A 14 4.405 -8.358 -18.032 1.00 0.00 N ATOM 203 CA THR A 14 3.468 -7.984 -19.072 1.00 0.00 C ATOM 204 C THR A 14 2.633 -6.766 -18.681 1.00 0.00 C ATOM 205 O THR A 14 2.461 -5.844 -19.472 1.00 0.00 O ATOM 206 CB THR A 14 2.583 -9.204 -19.369 1.00 0.00 C ATOM 207 OG1 THR A 14 3.391 -10.366 -19.365 1.00 0.00 O ATOM 208 CG2 THR A 14 1.887 -9.076 -20.727 1.00 0.00 C ATOM 0 H THR A 14 4.226 -9.280 -17.634 1.00 0.00 H new ATOM 0 HA THR A 14 4.015 -7.691 -19.968 1.00 0.00 H new ATOM 0 HB THR A 14 1.813 -9.267 -18.601 1.00 0.00 H new ATOM 0 HG1 THR A 14 2.835 -11.151 -19.552 1.00 0.00 H new ATOM 0 HG21 THR A 14 1.270 -9.957 -20.904 1.00 0.00 H new ATOM 0 HG22 THR A 14 1.259 -8.185 -20.731 1.00 0.00 H new ATOM 0 HG23 THR A 14 2.637 -8.995 -21.514 1.00 0.00 H new ATOM 216 N ASP A 15 2.072 -6.778 -17.475 1.00 0.00 N ATOM 217 CA ASP A 15 1.173 -5.725 -17.033 1.00 0.00 C ATOM 218 C ASP A 15 1.908 -4.433 -16.685 1.00 0.00 C ATOM 219 O ASP A 15 1.519 -3.363 -17.143 1.00 0.00 O ATOM 220 CB ASP A 15 0.368 -6.207 -15.821 1.00 0.00 C ATOM 221 CG ASP A 15 -0.686 -7.251 -16.179 1.00 0.00 C ATOM 222 OD1 ASP A 15 -0.289 -8.326 -16.679 1.00 0.00 O ATOM 223 OD2 ASP A 15 -1.876 -6.963 -15.929 1.00 0.00 O ATOM 0 H ASP A 15 2.228 -7.512 -16.785 1.00 0.00 H new ATOM 0 HA ASP A 15 0.504 -5.501 -17.864 1.00 0.00 H new ATOM 0 HB2 ASP A 15 1.051 -6.627 -15.083 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -0.120 -5.352 -15.353 1.00 0.00 H new ATOM 228 N VAL A 16 2.927 -4.524 -15.830 1.00 0.00 N ATOM 229 CA VAL A 16 3.647 -3.376 -15.301 1.00 0.00 C ATOM 230 C VAL A 16 4.829 -2.983 -16.179 1.00 0.00 C ATOM 231 O VAL A 16 4.931 -1.830 -16.596 1.00 0.00 O ATOM 232 CB VAL A 16 4.098 -3.647 -13.854 1.00 0.00 C ATOM 233 CG1 VAL A 16 4.706 -2.386 -13.229 1.00 0.00 C ATOM 234 CG2 VAL A 16 2.926 -4.098 -12.979 1.00 0.00 C ATOM 0 H VAL A 16 3.278 -5.416 -15.482 1.00 0.00 H new ATOM 0 HA VAL A 16 2.960 -2.529 -15.301 1.00 0.00 H new ATOM 0 HB VAL A 16 4.844 -4.440 -13.899 1.00 0.00 H new ATOM 0 HG11 VAL A 16 5.018 -2.601 -12.207 1.00 0.00 H new ATOM 0 HG12 VAL A 16 5.570 -2.071 -13.813 1.00 0.00 H new ATOM 0 HG13 VAL A 16 3.963 -1.589 -13.222 1.00 0.00 H new ATOM 0 HG21 VAL A 16 3.279 -4.281 -11.964 1.00 0.00 H new ATOM 0 HG22 VAL A 16 2.163 -3.320 -12.963 1.00 0.00 H new ATOM 0 HG23 VAL A 16 2.500 -5.015 -13.386 1.00 0.00 H new ATOM 244 N LEU A 17 5.752 -3.910 -16.439 1.00 0.00 N ATOM 245 CA LEU A 17 6.950 -3.541 -17.184 1.00 0.00 C ATOM 246 C LEU A 17 6.608 -3.149 -18.618 1.00 0.00 C ATOM 247 O LEU A 17 7.098 -2.134 -19.104 1.00 0.00 O ATOM 248 CB LEU A 17 8.075 -4.570 -17.030 1.00 0.00 C ATOM 249 CG LEU A 17 8.425 -4.806 -15.546 1.00 0.00 C ATOM 250 CD1 LEU A 17 9.595 -5.785 -15.433 1.00 0.00 C ATOM 251 CD2 LEU A 17 8.800 -3.505 -14.820 1.00 0.00 C ATOM 0 H LEU A 17 5.696 -4.888 -16.155 1.00 0.00 H new ATOM 0 HA LEU A 17 7.371 -2.639 -16.740 1.00 0.00 H new ATOM 0 HB2 LEU A 17 7.773 -5.512 -17.488 1.00 0.00 H new ATOM 0 HB3 LEU A 17 8.961 -4.225 -17.564 1.00 0.00 H new ATOM 0 HG LEU A 17 7.533 -5.216 -15.072 1.00 0.00 H new ATOM 0 HD11 LEU A 17 9.835 -5.945 -14.382 1.00 0.00 H new ATOM 0 HD12 LEU A 17 9.320 -6.735 -15.892 1.00 0.00 H new ATOM 0 HD13 LEU A 17 10.465 -5.373 -15.945 1.00 0.00 H new ATOM 0 HD21 LEU A 17 9.038 -3.725 -13.779 1.00 0.00 H new ATOM 0 HD22 LEU A 17 9.668 -3.056 -15.303 1.00 0.00 H new ATOM 0 HD23 LEU A 17 7.961 -2.810 -14.862 1.00 0.00 H new ATOM 263 N LYS A 18 5.721 -3.896 -19.278 1.00 0.00 N ATOM 264 CA LYS A 18 5.261 -3.538 -20.618 1.00 0.00 C ATOM 265 C LYS A 18 3.986 -2.677 -20.530 1.00 0.00 C ATOM 266 O LYS A 18 3.133 -2.745 -21.413 1.00 0.00 O ATOM 267 CB LYS A 18 5.069 -4.795 -21.475 1.00 0.00 C ATOM 268 CG LYS A 18 6.355 -5.624 -21.541 1.00 0.00 C ATOM 269 CD LYS A 18 6.133 -6.882 -22.391 1.00 0.00 C ATOM 270 CE LYS A 18 7.353 -7.810 -22.363 1.00 0.00 C ATOM 271 NZ LYS A 18 7.575 -8.380 -21.021 1.00 0.00 N ATOM 0 H LYS A 18 5.308 -4.751 -18.906 1.00 0.00 H new ATOM 0 HA LYS A 18 6.022 -2.935 -21.113 1.00 0.00 H new ATOM 0 HB2 LYS A 18 4.264 -5.401 -21.060 1.00 0.00 H new ATOM 0 HB3 LYS A 18 4.766 -4.509 -22.482 1.00 0.00 H new ATOM 0 HG2 LYS A 18 7.160 -5.026 -21.968 1.00 0.00 H new ATOM 0 HG3 LYS A 18 6.666 -5.906 -20.535 1.00 0.00 H new ATOM 0 HD2 LYS A 18 5.259 -7.419 -22.023 1.00 0.00 H new ATOM 0 HD3 LYS A 18 5.920 -6.593 -23.420 1.00 0.00 H new ATOM 0 HE2 LYS A 18 7.213 -8.617 -23.082 1.00 0.00 H new ATOM 0 HE3 LYS A 18 8.239 -7.256 -22.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 8.259 -9.161 -21.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 7.948 -7.643 -20.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 6.675 -8.738 -20.643 1.00 0.00 H new ATOM 285 N ALA A 19 3.839 -1.864 -19.474 1.00 0.00 N ATOM 286 CA ALA A 19 2.663 -1.023 -19.297 1.00 0.00 C ATOM 287 C ALA A 19 2.517 0.007 -20.416 1.00 0.00 C ATOM 288 O ALA A 19 3.501 0.589 -20.876 1.00 0.00 O ATOM 289 CB ALA A 19 2.723 -0.293 -17.955 1.00 0.00 C ATOM 0 H ALA A 19 4.530 -1.776 -18.729 1.00 0.00 H new ATOM 0 HA ALA A 19 1.797 -1.685 -19.324 1.00 0.00 H new ATOM 0 HB1 ALA A 19 1.836 0.331 -17.840 1.00 0.00 H new ATOM 0 HB2 ALA A 19 2.761 -1.022 -17.146 1.00 0.00 H new ATOM 0 HB3 ALA A 19 3.614 0.334 -17.921 1.00 0.00 H new ATOM 295 N ASP A 20 1.268 0.276 -20.805 1.00 0.00 N ATOM 296 CA ASP A 20 0.912 1.275 -21.804 1.00 0.00 C ATOM 297 C ASP A 20 0.241 2.455 -21.102 1.00 0.00 C ATOM 298 O ASP A 20 -0.874 2.845 -21.438 1.00 0.00 O ATOM 299 CB ASP A 20 0.016 0.630 -22.864 1.00 0.00 C ATOM 300 CG ASP A 20 -0.332 1.583 -24.007 1.00 0.00 C ATOM 301 OD1 ASP A 20 0.523 2.439 -24.326 1.00 0.00 O ATOM 302 OD2 ASP A 20 -1.442 1.422 -24.559 1.00 0.00 O ATOM 0 H ASP A 20 0.458 -0.211 -20.421 1.00 0.00 H new ATOM 0 HA ASP A 20 1.796 1.655 -22.317 1.00 0.00 H new ATOM 0 HB2 ASP A 20 0.517 -0.249 -23.270 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -0.904 0.284 -22.393 1.00 0.00 H new ATOM 307 N GLY A 21 0.929 3.008 -20.103 1.00 0.00 N ATOM 308 CA GLY A 21 0.451 4.138 -19.320 1.00 0.00 C ATOM 309 C GLY A 21 1.003 4.108 -17.896 1.00 0.00 C ATOM 310 O GLY A 21 2.008 3.447 -17.624 1.00 0.00 O ATOM 0 H GLY A 21 1.849 2.675 -19.814 1.00 0.00 H new ATOM 0 HA2 GLY A 21 0.745 5.068 -19.806 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -0.638 4.125 -19.289 1.00 0.00 H new ATOM 314 N ALA A 22 0.330 4.837 -17.000 1.00 0.00 N ATOM 315 CA ALA A 22 0.648 4.965 -15.587 1.00 0.00 C ATOM 316 C ALA A 22 -0.100 3.908 -14.776 1.00 0.00 C ATOM 317 O ALA A 22 -1.331 3.849 -14.820 1.00 0.00 O ATOM 318 CB ALA A 22 0.264 6.374 -15.126 1.00 0.00 C ATOM 0 H ALA A 22 -0.493 5.379 -17.262 1.00 0.00 H new ATOM 0 HA ALA A 22 1.715 4.809 -15.431 1.00 0.00 H new ATOM 0 HB1 ALA A 22 0.496 6.486 -14.067 1.00 0.00 H new ATOM 0 HB2 ALA A 22 0.825 7.111 -15.701 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -0.804 6.529 -15.282 1.00 0.00 H new ATOM 324 N ILE A 23 0.642 3.080 -14.035 1.00 0.00 N ATOM 325 CA ILE A 23 0.112 2.025 -13.194 1.00 0.00 C ATOM 326 C ILE A 23 0.586 2.242 -11.758 1.00 0.00 C ATOM 327 O ILE A 23 1.791 2.264 -11.505 1.00 0.00 O ATOM 328 CB ILE A 23 0.531 0.647 -13.737 1.00 0.00 C ATOM 329 CG1 ILE A 23 0.250 0.551 -15.250 1.00 0.00 C ATOM 330 CG2 ILE A 23 -0.143 -0.468 -12.923 1.00 0.00 C ATOM 331 CD1 ILE A 23 0.086 -0.881 -15.762 1.00 0.00 C ATOM 0 H ILE A 23 1.660 3.135 -14.009 1.00 0.00 H new ATOM 0 HA ILE A 23 -0.978 2.054 -13.202 1.00 0.00 H new ATOM 0 HB ILE A 23 1.607 0.518 -13.618 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -0.656 1.113 -15.477 1.00 0.00 H new ATOM 0 HG13 ILE A 23 1.066 1.029 -15.792 1.00 0.00 H new ATOM 0 HG21 ILE A 23 0.160 -1.439 -13.315 1.00 0.00 H new ATOM 0 HG22 ILE A 23 0.158 -0.389 -11.878 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -1.226 -0.369 -12.997 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -0.109 -0.864 -16.834 1.00 0.00 H new ATOM 0 HD12 ILE A 23 0.999 -1.444 -15.568 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -0.749 -1.357 -15.249 1.00 0.00 H new ATOM 343 N LEU A 24 -0.348 2.364 -10.811 1.00 0.00 N ATOM 344 CA LEU A 24 -0.029 2.486 -9.394 1.00 0.00 C ATOM 345 C LEU A 24 -0.075 1.077 -8.834 1.00 0.00 C ATOM 346 O LEU A 24 -1.156 0.520 -8.678 1.00 0.00 O ATOM 347 CB LEU A 24 -1.025 3.406 -8.680 1.00 0.00 C ATOM 348 CG LEU A 24 -0.721 3.675 -7.193 1.00 0.00 C ATOM 349 CD1 LEU A 24 -0.859 2.473 -6.253 1.00 0.00 C ATOM 350 CD2 LEU A 24 0.636 4.362 -6.998 1.00 0.00 C ATOM 0 H LEU A 24 -1.348 2.381 -11.010 1.00 0.00 H new ATOM 0 HA LEU A 24 0.952 2.936 -9.244 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -1.055 4.360 -9.206 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -2.020 2.967 -8.757 1.00 0.00 H new ATOM 0 HG LEU A 24 -1.518 4.356 -6.894 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -0.621 2.779 -5.234 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -1.882 2.098 -6.290 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.172 1.686 -6.565 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.808 4.532 -5.935 1.00 0.00 H new ATOM 0 HD22 LEU A 24 1.426 3.726 -7.397 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.639 5.317 -7.523 1.00 0.00 H new ATOM 362 N VAL A 25 1.084 0.503 -8.535 1.00 0.00 N ATOM 363 CA VAL A 25 1.187 -0.844 -8.002 1.00 0.00 C ATOM 364 C VAL A 25 1.323 -0.773 -6.487 1.00 0.00 C ATOM 365 O VAL A 25 2.362 -0.352 -5.982 1.00 0.00 O ATOM 366 CB VAL A 25 2.371 -1.591 -8.630 1.00 0.00 C ATOM 367 CG1 VAL A 25 2.368 -3.036 -8.113 1.00 0.00 C ATOM 368 CG2 VAL A 25 2.294 -1.599 -10.162 1.00 0.00 C ATOM 0 H VAL A 25 1.985 0.966 -8.658 1.00 0.00 H new ATOM 0 HA VAL A 25 0.284 -1.401 -8.252 1.00 0.00 H new ATOM 0 HB VAL A 25 3.290 -1.078 -8.348 1.00 0.00 H new ATOM 0 HG11 VAL A 25 3.205 -3.581 -8.551 1.00 0.00 H new ATOM 0 HG12 VAL A 25 2.464 -3.034 -7.027 1.00 0.00 H new ATOM 0 HG13 VAL A 25 1.433 -3.521 -8.393 1.00 0.00 H new ATOM 0 HG21 VAL A 25 3.151 -2.138 -10.567 1.00 0.00 H new ATOM 0 HG22 VAL A 25 1.374 -2.091 -10.477 1.00 0.00 H new ATOM 0 HG23 VAL A 25 2.302 -0.574 -10.532 1.00 0.00 H new ATOM 378 N ASP A 26 0.285 -1.202 -5.768 1.00 0.00 N ATOM 379 CA ASP A 26 0.278 -1.267 -4.317 1.00 0.00 C ATOM 380 C ASP A 26 0.743 -2.658 -3.902 1.00 0.00 C ATOM 381 O ASP A 26 -0.039 -3.604 -3.954 1.00 0.00 O ATOM 382 CB ASP A 26 -1.132 -0.980 -3.781 1.00 0.00 C ATOM 383 CG ASP A 26 -1.259 -1.373 -2.314 1.00 0.00 C ATOM 384 OD1 ASP A 26 -2.292 -1.878 -1.886 1.00 0.00 O ATOM 385 OD2 ASP A 26 -0.187 -1.168 -1.506 1.00 0.00 O ATOM 0 H ASP A 26 -0.587 -1.518 -6.191 1.00 0.00 H new ATOM 0 HA ASP A 26 0.949 -0.516 -3.900 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -1.358 0.080 -3.896 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -1.866 -1.529 -4.371 1.00 0.00 H new ATOM 391 N PHE A 27 1.985 -2.786 -3.446 1.00 0.00 N ATOM 392 CA PHE A 27 2.509 -4.041 -2.938 1.00 0.00 C ATOM 393 C PHE A 27 1.938 -4.136 -1.524 1.00 0.00 C ATOM 394 O PHE A 27 2.209 -3.246 -0.718 1.00 0.00 O ATOM 395 CB PHE A 27 4.045 -4.027 -2.914 1.00 0.00 C ATOM 396 CG PHE A 27 4.748 -4.059 -4.264 1.00 0.00 C ATOM 397 CD1 PHE A 27 4.581 -3.007 -5.184 1.00 0.00 C ATOM 398 CD2 PHE A 27 5.676 -5.080 -4.552 1.00 0.00 C ATOM 399 CE1 PHE A 27 5.268 -3.019 -6.408 1.00 0.00 C ATOM 400 CE2 PHE A 27 6.410 -5.052 -5.752 1.00 0.00 C ATOM 401 CZ PHE A 27 6.191 -4.035 -6.691 1.00 0.00 C ATOM 0 H PHE A 27 2.655 -2.018 -3.420 1.00 0.00 H new ATOM 0 HA PHE A 27 2.231 -4.893 -3.559 1.00 0.00 H new ATOM 0 HB2 PHE A 27 4.369 -3.133 -2.382 1.00 0.00 H new ATOM 0 HB3 PHE A 27 4.385 -4.884 -2.333 1.00 0.00 H new ATOM 0 HD1 PHE A 27 3.921 -2.186 -4.947 1.00 0.00 H new ATOM 0 HD2 PHE A 27 5.824 -5.887 -3.849 1.00 0.00 H new ATOM 0 HE1 PHE A 27 5.084 -2.242 -7.135 1.00 0.00 H new ATOM 0 HE2 PHE A 27 7.145 -5.818 -5.950 1.00 0.00 H new ATOM 0 HZ PHE A 27 6.730 -4.034 -7.627 1.00 0.00 H new ATOM 411 N TRP A 28 1.125 -5.161 -1.241 1.00 0.00 N ATOM 412 CA TRP A 28 0.434 -5.342 0.031 1.00 0.00 C ATOM 413 C TRP A 28 0.621 -6.752 0.586 1.00 0.00 C ATOM 414 O TRP A 28 1.072 -7.652 -0.123 1.00 0.00 O ATOM 415 CB TRP A 28 -1.062 -5.051 -0.154 1.00 0.00 C ATOM 416 CG TRP A 28 -1.846 -6.031 -0.972 1.00 0.00 C ATOM 417 CD1 TRP A 28 -1.857 -6.094 -2.318 1.00 0.00 C ATOM 418 CD2 TRP A 28 -2.774 -7.064 -0.522 1.00 0.00 C ATOM 419 NE1 TRP A 28 -2.686 -7.113 -2.735 1.00 0.00 N ATOM 420 CE2 TRP A 28 -3.292 -7.738 -1.667 1.00 0.00 C ATOM 421 CE3 TRP A 28 -3.256 -7.478 0.736 1.00 0.00 C ATOM 422 CZ2 TRP A 28 -4.228 -8.777 -1.572 1.00 0.00 C ATOM 423 CZ3 TRP A 28 -4.211 -8.508 0.844 1.00 0.00 C ATOM 424 CH2 TRP A 28 -4.689 -9.165 -0.303 1.00 0.00 C ATOM 0 H TRP A 28 0.928 -5.904 -1.911 1.00 0.00 H new ATOM 0 HA TRP A 28 0.866 -4.645 0.749 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -1.520 -4.989 0.833 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -1.162 -4.068 -0.614 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -1.299 -5.442 -2.973 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -2.832 -7.372 -3.711 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -2.888 -6.998 1.631 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -4.589 -9.272 -2.461 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -4.579 -8.796 1.818 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -5.408 -9.965 -0.209 1.00 0.00 H new ATOM 435 N ALA A 29 0.226 -6.943 1.849 1.00 0.00 N ATOM 436 CA ALA A 29 0.255 -8.214 2.549 1.00 0.00 C ATOM 437 C ALA A 29 -0.996 -8.312 3.416 1.00 0.00 C ATOM 438 O ALA A 29 -1.435 -7.311 3.977 1.00 0.00 O ATOM 439 CB ALA A 29 1.506 -8.311 3.419 1.00 0.00 C ATOM 0 H ALA A 29 -0.135 -6.183 2.426 1.00 0.00 H new ATOM 0 HA ALA A 29 0.278 -9.033 1.831 1.00 0.00 H new ATOM 0 HB1 ALA A 29 1.515 -9.269 3.938 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.393 -8.231 2.791 1.00 0.00 H new ATOM 0 HB3 ALA A 29 1.504 -7.502 4.150 1.00 0.00 H new ATOM 445 N GLU A 30 -1.565 -9.512 3.522 1.00 0.00 N ATOM 446 CA GLU A 30 -2.793 -9.776 4.264 1.00 0.00 C ATOM 447 C GLU A 30 -2.674 -9.380 5.737 1.00 0.00 C ATOM 448 O GLU A 30 -3.543 -8.702 6.280 1.00 0.00 O ATOM 449 CB GLU A 30 -3.141 -11.261 4.104 1.00 0.00 C ATOM 450 CG GLU A 30 -3.512 -11.581 2.648 1.00 0.00 C ATOM 451 CD GLU A 30 -3.196 -13.029 2.291 1.00 0.00 C ATOM 452 OE1 GLU A 30 -3.806 -13.918 2.922 1.00 0.00 O ATOM 453 OE2 GLU A 30 -2.342 -13.210 1.396 1.00 0.00 O ATOM 0 H GLU A 30 -1.174 -10.346 3.083 1.00 0.00 H new ATOM 0 HA GLU A 30 -3.597 -9.162 3.858 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -2.293 -11.873 4.411 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -3.973 -11.517 4.761 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -4.574 -11.391 2.493 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -2.968 -10.914 1.979 1.00 0.00 H new ATOM 460 N TRP A 31 -1.594 -9.821 6.383 1.00 0.00 N ATOM 461 CA TRP A 31 -1.337 -9.559 7.793 1.00 0.00 C ATOM 462 C TRP A 31 -1.144 -8.066 8.083 1.00 0.00 C ATOM 463 O TRP A 31 -1.425 -7.607 9.192 1.00 0.00 O ATOM 464 CB TRP A 31 -0.124 -10.384 8.252 1.00 0.00 C ATOM 465 CG TRP A 31 1.082 -10.336 7.360 1.00 0.00 C ATOM 466 CD1 TRP A 31 1.352 -11.219 6.375 1.00 0.00 C ATOM 467 CD2 TRP A 31 2.176 -9.367 7.335 1.00 0.00 C ATOM 468 NE1 TRP A 31 2.507 -10.851 5.724 1.00 0.00 N ATOM 469 CE2 TRP A 31 3.065 -9.718 6.275 1.00 0.00 C ATOM 470 CE3 TRP A 31 2.504 -8.217 8.089 1.00 0.00 C ATOM 471 CZ2 TRP A 31 4.206 -8.963 5.967 1.00 0.00 C ATOM 472 CZ3 TRP A 31 3.659 -7.465 7.802 1.00 0.00 C ATOM 473 CH2 TRP A 31 4.508 -7.833 6.743 1.00 0.00 C ATOM 0 H TRP A 31 -0.866 -10.377 5.933 1.00 0.00 H new ATOM 0 HA TRP A 31 -2.214 -9.865 8.363 1.00 0.00 H new ATOM 0 HB2 TRP A 31 0.169 -10.041 9.244 1.00 0.00 H new ATOM 0 HB3 TRP A 31 -0.435 -11.424 8.353 1.00 0.00 H new ATOM 0 HD1 TRP A 31 0.752 -12.084 6.134 1.00 0.00 H new ATOM 0 HE1 TRP A 31 2.902 -11.355 4.930 1.00 0.00 H new ATOM 0 HE3 TRP A 31 1.858 -7.910 8.898 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 4.844 -9.247 5.143 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 3.895 -6.598 8.401 1.00 0.00 H new ATOM 0 HH2 TRP A 31 5.390 -7.248 6.527 1.00 0.00 H new ATOM 484 N CYS A 32 -0.664 -7.291 7.107 1.00 0.00 N ATOM 485 CA CYS A 32 -0.422 -5.872 7.318 1.00 0.00 C ATOM 486 C CYS A 32 -1.725 -5.084 7.222 1.00 0.00 C ATOM 487 O CYS A 32 -2.015 -4.453 6.206 1.00 0.00 O ATOM 488 CB CYS A 32 0.641 -5.361 6.354 1.00 0.00 C ATOM 489 SG CYS A 32 0.913 -3.600 6.682 1.00 0.00 S ATOM 0 H CYS A 32 -0.438 -7.625 6.170 1.00 0.00 H new ATOM 0 HA CYS A 32 -0.035 -5.724 8.326 1.00 0.00 H new ATOM 0 HB2 CYS A 32 1.569 -5.918 6.483 1.00 0.00 H new ATOM 0 HB3 CYS A 32 0.320 -5.509 5.323 1.00 0.00 H new ATOM 0 HG CYS A 32 1.915 -3.176 5.971 1.00 0.00 H new ATOM 495 N GLY A 33 -2.496 -5.129 8.316 1.00 0.00 N ATOM 496 CA GLY A 33 -3.775 -4.452 8.521 1.00 0.00 C ATOM 497 C GLY A 33 -3.979 -3.203 7.652 1.00 0.00 C ATOM 498 O GLY A 33 -4.891 -3.209 6.829 1.00 0.00 O ATOM 0 H GLY A 33 -2.222 -5.676 9.132 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -4.582 -5.156 8.318 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -3.857 -4.167 9.570 1.00 0.00 H new ATOM 502 N PRO A 34 -3.152 -2.150 7.805 1.00 0.00 N ATOM 503 CA PRO A 34 -3.219 -0.911 7.032 1.00 0.00 C ATOM 504 C PRO A 34 -3.514 -1.081 5.535 1.00 0.00 C ATOM 505 O PRO A 34 -4.203 -0.249 4.945 1.00 0.00 O ATOM 506 CB PRO A 34 -1.879 -0.218 7.269 1.00 0.00 C ATOM 507 CG PRO A 34 -1.563 -0.623 8.708 1.00 0.00 C ATOM 508 CD PRO A 34 -2.063 -2.067 8.768 1.00 0.00 C ATOM 0 HA PRO A 34 -4.072 -0.323 7.371 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -1.114 -0.559 6.572 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -1.953 0.864 7.156 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -0.497 -0.554 8.923 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -2.075 0.013 9.430 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -1.266 -2.767 8.518 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -2.407 -2.320 9.771 1.00 0.00 H new ATOM 516 N CYS A 35 -3.035 -2.163 4.916 1.00 0.00 N ATOM 517 CA CYS A 35 -3.306 -2.456 3.511 1.00 0.00 C ATOM 518 C CYS A 35 -4.818 -2.444 3.255 1.00 0.00 C ATOM 519 O CYS A 35 -5.302 -1.876 2.275 1.00 0.00 O ATOM 520 CB CYS A 35 -2.726 -3.820 3.118 1.00 0.00 C ATOM 521 SG CYS A 35 -0.916 -3.796 3.211 1.00 0.00 S ATOM 0 H CYS A 35 -2.449 -2.859 5.377 1.00 0.00 H new ATOM 0 HA CYS A 35 -2.829 -1.687 2.903 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -3.119 -4.592 3.779 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -3.040 -4.077 2.106 1.00 0.00 H new ATOM 0 HG CYS A 35 -0.547 -3.705 4.454 1.00 0.00 H new ATOM 527 N LYS A 36 -5.571 -3.049 4.175 1.00 0.00 N ATOM 528 CA LYS A 36 -7.022 -3.126 4.128 1.00 0.00 C ATOM 529 C LYS A 36 -7.652 -1.748 4.356 1.00 0.00 C ATOM 530 O LYS A 36 -8.749 -1.497 3.865 1.00 0.00 O ATOM 531 CB LYS A 36 -7.527 -4.147 5.155 1.00 0.00 C ATOM 532 CG LYS A 36 -6.882 -5.530 4.962 1.00 0.00 C ATOM 533 CD LYS A 36 -7.319 -6.538 6.033 1.00 0.00 C ATOM 534 CE LYS A 36 -8.810 -6.885 5.938 1.00 0.00 C ATOM 535 NZ LYS A 36 -9.170 -7.955 6.885 1.00 0.00 N ATOM 0 H LYS A 36 -5.172 -3.510 4.993 1.00 0.00 H new ATOM 0 HA LYS A 36 -7.323 -3.460 3.135 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -7.313 -3.785 6.161 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -8.610 -4.238 5.073 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -7.145 -5.915 3.977 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -5.797 -5.428 4.985 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -6.730 -7.449 5.932 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -7.106 -6.129 7.021 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -9.407 -5.997 6.145 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -9.049 -7.200 4.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -10.184 -8.169 6.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -8.617 -8.809 6.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -8.964 -7.644 7.856 1.00 0.00 H new ATOM 549 N MET A 37 -6.968 -0.848 5.071 1.00 0.00 N ATOM 550 CA MET A 37 -7.461 0.501 5.307 1.00 0.00 C ATOM 551 C MET A 37 -7.284 1.325 4.032 1.00 0.00 C ATOM 552 O MET A 37 -8.194 2.058 3.650 1.00 0.00 O ATOM 553 CB MET A 37 -6.777 1.161 6.512 1.00 0.00 C ATOM 554 CG MET A 37 -7.250 0.600 7.861 1.00 0.00 C ATOM 555 SD MET A 37 -6.847 -1.129 8.219 1.00 0.00 S ATOM 556 CE MET A 37 -7.539 -1.278 9.880 1.00 0.00 C ATOM 0 H MET A 37 -6.062 -1.039 5.498 1.00 0.00 H new ATOM 0 HA MET A 37 -8.521 0.451 5.556 1.00 0.00 H new ATOM 0 HB2 MET A 37 -5.699 1.026 6.428 1.00 0.00 H new ATOM 0 HB3 MET A 37 -6.967 2.234 6.486 1.00 0.00 H new ATOM 0 HG2 MET A 37 -6.825 1.218 8.652 1.00 0.00 H new ATOM 0 HG3 MET A 37 -8.333 0.714 7.914 1.00 0.00 H new ATOM 0 HE1 MET A 37 -7.376 -2.289 10.253 1.00 0.00 H new ATOM 0 HE2 MET A 37 -7.051 -0.564 10.543 1.00 0.00 H new ATOM 0 HE3 MET A 37 -8.609 -1.071 9.848 1.00 0.00 H new ATOM 566 N ILE A 38 -6.134 1.211 3.352 1.00 0.00 N ATOM 567 CA ILE A 38 -5.949 1.947 2.105 1.00 0.00 C ATOM 568 C ILE A 38 -6.779 1.346 0.967 1.00 0.00 C ATOM 569 O ILE A 38 -7.171 2.084 0.069 1.00 0.00 O ATOM 570 CB ILE A 38 -4.478 2.146 1.709 1.00 0.00 C ATOM 571 CG1 ILE A 38 -3.763 0.822 1.417 1.00 0.00 C ATOM 572 CG2 ILE A 38 -3.730 2.959 2.769 1.00 0.00 C ATOM 573 CD1 ILE A 38 -2.440 1.035 0.680 1.00 0.00 C ATOM 0 H ILE A 38 -5.343 0.633 3.637 1.00 0.00 H new ATOM 0 HA ILE A 38 -6.327 2.951 2.297 1.00 0.00 H new ATOM 0 HB ILE A 38 -4.475 2.713 0.778 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -3.576 0.297 2.354 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -4.413 0.184 0.818 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -2.691 3.085 2.464 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -4.199 3.937 2.875 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -3.767 2.434 3.723 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -1.968 0.070 0.494 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -2.629 1.536 -0.270 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -1.779 1.651 1.290 1.00 0.00 H new ATOM 585 N ALA A 39 -7.046 0.032 0.973 1.00 0.00 N ATOM 586 CA ALA A 39 -7.835 -0.639 -0.062 1.00 0.00 C ATOM 587 C ALA A 39 -9.030 0.187 -0.588 1.00 0.00 C ATOM 588 O ALA A 39 -9.045 0.498 -1.779 1.00 0.00 O ATOM 589 CB ALA A 39 -8.238 -2.046 0.389 1.00 0.00 C ATOM 0 H ALA A 39 -6.716 -0.598 1.704 1.00 0.00 H new ATOM 0 HA ALA A 39 -7.182 -0.736 -0.929 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -8.823 -2.526 -0.395 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -7.342 -2.636 0.586 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -8.835 -1.979 1.298 1.00 0.00 H new ATOM 595 N PRO A 40 -10.015 0.579 0.241 1.00 0.00 N ATOM 596 CA PRO A 40 -11.134 1.398 -0.209 1.00 0.00 C ATOM 597 C PRO A 40 -10.664 2.705 -0.851 1.00 0.00 C ATOM 598 O PRO A 40 -11.218 3.118 -1.867 1.00 0.00 O ATOM 599 CB PRO A 40 -12.016 1.644 1.020 1.00 0.00 C ATOM 600 CG PRO A 40 -11.072 1.397 2.194 1.00 0.00 C ATOM 601 CD PRO A 40 -10.153 0.304 1.659 1.00 0.00 C ATOM 0 HA PRO A 40 -11.698 0.887 -0.989 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -12.413 2.659 1.032 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -12.870 0.967 1.043 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -10.518 2.296 2.464 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -11.610 1.074 3.085 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -9.185 0.324 2.160 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -10.579 -0.685 1.828 1.00 0.00 H new ATOM 609 N ILE A 41 -9.625 3.343 -0.300 1.00 0.00 N ATOM 610 CA ILE A 41 -9.078 4.564 -0.878 1.00 0.00 C ATOM 611 C ILE A 41 -8.615 4.240 -2.299 1.00 0.00 C ATOM 612 O ILE A 41 -9.028 4.893 -3.253 1.00 0.00 O ATOM 613 CB ILE A 41 -7.934 5.160 -0.031 1.00 0.00 C ATOM 614 CG1 ILE A 41 -8.304 5.229 1.462 1.00 0.00 C ATOM 615 CG2 ILE A 41 -7.601 6.562 -0.564 1.00 0.00 C ATOM 616 CD1 ILE A 41 -7.163 5.797 2.308 1.00 0.00 C ATOM 0 H ILE A 41 -9.150 3.029 0.546 1.00 0.00 H new ATOM 0 HA ILE A 41 -9.852 5.332 -0.897 1.00 0.00 H new ATOM 0 HB ILE A 41 -7.063 4.510 -0.115 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -9.192 5.849 1.587 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -8.559 4.231 1.819 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -6.793 6.994 0.027 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -7.290 6.491 -1.606 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -8.483 7.198 -0.492 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -7.467 5.828 3.354 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -6.283 5.163 2.204 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -6.926 6.805 1.969 1.00 0.00 H new ATOM 628 N LEU A 42 -7.789 3.202 -2.448 1.00 0.00 N ATOM 629 CA LEU A 42 -7.310 2.752 -3.745 1.00 0.00 C ATOM 630 C LEU A 42 -8.490 2.460 -4.677 1.00 0.00 C ATOM 631 O LEU A 42 -8.430 2.824 -5.847 1.00 0.00 O ATOM 632 CB LEU A 42 -6.360 1.553 -3.592 1.00 0.00 C ATOM 633 CG LEU A 42 -4.982 1.929 -3.024 1.00 0.00 C ATOM 634 CD1 LEU A 42 -4.271 0.648 -2.578 1.00 0.00 C ATOM 635 CD2 LEU A 42 -4.099 2.638 -4.060 1.00 0.00 C ATOM 0 H LEU A 42 -7.435 2.652 -1.665 1.00 0.00 H new ATOM 0 HA LEU A 42 -6.729 3.550 -4.207 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -6.824 0.814 -2.939 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -6.226 1.080 -4.565 1.00 0.00 H new ATOM 0 HG LEU A 42 -5.140 2.614 -2.191 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -3.291 0.898 -2.172 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -4.865 0.150 -1.811 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -4.151 -0.018 -3.433 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -3.137 2.883 -3.611 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -3.943 1.981 -4.916 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -4.589 3.554 -4.390 1.00 0.00 H new ATOM 647 N ASP A 43 -9.574 1.846 -4.187 1.00 0.00 N ATOM 648 CA ASP A 43 -10.759 1.599 -5.011 1.00 0.00 C ATOM 649 C ASP A 43 -11.347 2.930 -5.498 1.00 0.00 C ATOM 650 O ASP A 43 -11.632 3.088 -6.686 1.00 0.00 O ATOM 651 CB ASP A 43 -11.817 0.783 -4.257 1.00 0.00 C ATOM 652 CG ASP A 43 -11.381 -0.648 -3.956 1.00 0.00 C ATOM 653 OD1 ASP A 43 -11.097 -1.375 -4.932 1.00 0.00 O ATOM 654 OD2 ASP A 43 -11.369 -1.006 -2.759 1.00 0.00 O ATOM 0 H ASP A 43 -9.653 1.513 -3.226 1.00 0.00 H new ATOM 0 HA ASP A 43 -10.450 1.009 -5.874 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -12.053 1.287 -3.320 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -12.734 0.759 -4.846 1.00 0.00 H new ATOM 659 N GLU A 44 -11.516 3.902 -4.591 1.00 0.00 N ATOM 660 CA GLU A 44 -12.031 5.218 -4.956 1.00 0.00 C ATOM 661 C GLU A 44 -11.141 5.829 -6.038 1.00 0.00 C ATOM 662 O GLU A 44 -11.636 6.225 -7.091 1.00 0.00 O ATOM 663 CB GLU A 44 -12.124 6.144 -3.737 1.00 0.00 C ATOM 664 CG GLU A 44 -13.207 5.708 -2.748 1.00 0.00 C ATOM 665 CD GLU A 44 -13.202 6.600 -1.510 1.00 0.00 C ATOM 666 OE1 GLU A 44 -12.295 6.408 -0.672 1.00 0.00 O ATOM 667 OE2 GLU A 44 -14.090 7.476 -1.437 1.00 0.00 O ATOM 0 H GLU A 44 -11.302 3.796 -3.599 1.00 0.00 H new ATOM 0 HA GLU A 44 -13.042 5.100 -5.346 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -11.160 6.167 -3.228 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -12.331 7.160 -4.072 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -14.184 5.752 -3.229 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -13.042 4.671 -2.455 1.00 0.00 H new ATOM 674 N ILE A 45 -9.829 5.875 -5.793 1.00 0.00 N ATOM 675 CA ILE A 45 -8.854 6.388 -6.745 1.00 0.00 C ATOM 676 C ILE A 45 -9.025 5.673 -8.089 1.00 0.00 C ATOM 677 O ILE A 45 -9.091 6.320 -9.130 1.00 0.00 O ATOM 678 CB ILE A 45 -7.427 6.206 -6.195 1.00 0.00 C ATOM 679 CG1 ILE A 45 -7.156 7.013 -4.910 1.00 0.00 C ATOM 680 CG2 ILE A 45 -6.357 6.523 -7.246 1.00 0.00 C ATOM 681 CD1 ILE A 45 -7.157 8.533 -5.067 1.00 0.00 C ATOM 0 H ILE A 45 -9.415 5.553 -4.918 1.00 0.00 H new ATOM 0 HA ILE A 45 -9.019 7.455 -6.897 1.00 0.00 H new ATOM 0 HB ILE A 45 -7.361 5.150 -5.935 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -7.908 6.743 -4.168 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -6.189 6.709 -4.509 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -5.367 6.381 -6.812 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -6.478 5.857 -8.101 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -6.464 7.557 -7.574 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -6.956 8.999 -4.102 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -6.385 8.826 -5.779 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -8.130 8.860 -5.432 1.00 0.00 H new ATOM 693 N ALA A 46 -9.092 4.342 -8.070 1.00 0.00 N ATOM 694 CA ALA A 46 -9.242 3.528 -9.267 1.00 0.00 C ATOM 695 C ALA A 46 -10.445 3.987 -10.086 1.00 0.00 C ATOM 696 O ALA A 46 -10.350 4.102 -11.304 1.00 0.00 O ATOM 697 CB ALA A 46 -9.343 2.052 -8.882 1.00 0.00 C ATOM 0 H ALA A 46 -9.043 3.796 -7.210 1.00 0.00 H new ATOM 0 HA ALA A 46 -8.361 3.652 -9.897 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -9.455 1.448 -9.782 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -8.438 1.751 -8.354 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -10.208 1.903 -8.235 1.00 0.00 H new ATOM 703 N ASP A 47 -11.570 4.269 -9.423 1.00 0.00 N ATOM 704 CA ASP A 47 -12.754 4.769 -10.106 1.00 0.00 C ATOM 705 C ASP A 47 -12.521 6.198 -10.617 1.00 0.00 C ATOM 706 O ASP A 47 -12.680 6.474 -11.805 1.00 0.00 O ATOM 707 CB ASP A 47 -13.967 4.698 -9.175 1.00 0.00 C ATOM 708 CG ASP A 47 -15.218 5.198 -9.887 1.00 0.00 C ATOM 709 OD1 ASP A 47 -15.756 4.419 -10.704 1.00 0.00 O ATOM 710 OD2 ASP A 47 -15.606 6.355 -9.611 1.00 0.00 O ATOM 0 H ASP A 47 -11.680 4.158 -8.415 1.00 0.00 H new ATOM 0 HA ASP A 47 -12.955 4.140 -10.973 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -14.117 3.671 -8.842 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -13.784 5.299 -8.284 1.00 0.00 H new ATOM 715 N GLU A 48 -12.146 7.110 -9.718 1.00 0.00 N ATOM 716 CA GLU A 48 -11.914 8.521 -10.016 1.00 0.00 C ATOM 717 C GLU A 48 -10.979 8.717 -11.217 1.00 0.00 C ATOM 718 O GLU A 48 -11.268 9.516 -12.103 1.00 0.00 O ATOM 719 CB GLU A 48 -11.342 9.218 -8.775 1.00 0.00 C ATOM 720 CG GLU A 48 -12.374 9.373 -7.650 1.00 0.00 C ATOM 721 CD GLU A 48 -11.711 9.880 -6.371 1.00 0.00 C ATOM 722 OE1 GLU A 48 -10.996 9.073 -5.740 1.00 0.00 O ATOM 723 OE2 GLU A 48 -11.919 11.069 -6.046 1.00 0.00 O ATOM 0 H GLU A 48 -11.992 6.879 -8.737 1.00 0.00 H new ATOM 0 HA GLU A 48 -12.872 8.967 -10.284 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -10.490 8.648 -8.404 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -10.968 10.202 -9.057 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -13.155 10.068 -7.960 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -12.857 8.415 -7.459 1.00 0.00 H new ATOM 730 N TYR A 49 -9.854 8.001 -11.233 1.00 0.00 N ATOM 731 CA TYR A 49 -8.846 8.079 -12.284 1.00 0.00 C ATOM 732 C TYR A 49 -8.998 6.915 -13.272 1.00 0.00 C ATOM 733 O TYR A 49 -8.027 6.546 -13.935 1.00 0.00 O ATOM 734 CB TYR A 49 -7.441 8.090 -11.653 1.00 0.00 C ATOM 735 CG TYR A 49 -7.101 9.281 -10.773 1.00 0.00 C ATOM 736 CD1 TYR A 49 -7.641 9.374 -9.479 1.00 0.00 C ATOM 737 CD2 TYR A 49 -6.129 10.217 -11.179 1.00 0.00 C ATOM 738 CE1 TYR A 49 -7.234 10.394 -8.609 1.00 0.00 C ATOM 739 CE2 TYR A 49 -5.676 11.205 -10.285 1.00 0.00 C ATOM 740 CZ TYR A 49 -6.225 11.288 -8.995 1.00 0.00 C ATOM 741 OH TYR A 49 -5.770 12.209 -8.096 1.00 0.00 O ATOM 0 H TYR A 49 -9.616 7.336 -10.497 1.00 0.00 H new ATOM 0 HA TYR A 49 -8.986 9.004 -12.843 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -7.327 7.183 -11.059 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -6.706 8.039 -12.456 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -8.376 8.653 -9.152 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -5.730 10.176 -12.182 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -7.698 10.492 -7.639 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -4.907 11.899 -10.591 1.00 0.00 H new ATOM 0 HH TYR A 49 -4.799 12.122 -8.001 1.00 0.00 H new ATOM 751 N GLN A 50 -10.192 6.325 -13.393 1.00 0.00 N ATOM 752 CA GLN A 50 -10.419 5.211 -14.302 1.00 0.00 C ATOM 753 C GLN A 50 -10.008 5.600 -15.725 1.00 0.00 C ATOM 754 O GLN A 50 -10.469 6.608 -16.256 1.00 0.00 O ATOM 755 CB GLN A 50 -11.889 4.789 -14.218 1.00 0.00 C ATOM 756 CG GLN A 50 -12.243 3.601 -15.122 1.00 0.00 C ATOM 757 CD GLN A 50 -13.627 3.026 -14.823 1.00 0.00 C ATOM 758 OE1 GLN A 50 -14.517 3.801 -14.204 1.00 0.00 O flip ATOM 759 NE2 GLN A 50 -13.899 1.873 -15.135 1.00 0.00 N flip ATOM 0 H GLN A 50 -11.018 6.608 -12.866 1.00 0.00 H new ATOM 0 HA GLN A 50 -9.805 4.358 -14.015 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -12.125 4.531 -13.186 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -12.517 5.638 -14.486 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -12.203 3.918 -16.164 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -11.494 2.819 -14.997 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -13.204 1.295 -15.608 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -14.820 1.491 -14.921 1.00 0.00 H new ATOM 768 N GLY A 51 -9.110 4.818 -16.330 1.00 0.00 N ATOM 769 CA GLY A 51 -8.602 5.075 -17.672 1.00 0.00 C ATOM 770 C GLY A 51 -7.435 6.068 -17.688 1.00 0.00 C ATOM 771 O GLY A 51 -6.739 6.165 -18.694 1.00 0.00 O ATOM 0 H GLY A 51 -8.715 3.984 -15.896 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -8.279 4.135 -18.119 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -9.410 5.462 -18.293 1.00 0.00 H new ATOM 775 N LYS A 52 -7.205 6.791 -16.588 1.00 0.00 N ATOM 776 CA LYS A 52 -6.128 7.764 -16.453 1.00 0.00 C ATOM 777 C LYS A 52 -4.966 7.129 -15.687 1.00 0.00 C ATOM 778 O LYS A 52 -3.805 7.309 -16.051 1.00 0.00 O ATOM 779 CB LYS A 52 -6.642 9.015 -15.724 1.00 0.00 C ATOM 780 CG LYS A 52 -7.947 9.548 -16.330 1.00 0.00 C ATOM 781 CD LYS A 52 -8.349 10.860 -15.643 1.00 0.00 C ATOM 782 CE LYS A 52 -9.760 11.300 -16.053 1.00 0.00 C ATOM 783 NZ LYS A 52 -9.865 11.537 -17.503 1.00 0.00 N ATOM 0 H LYS A 52 -7.779 6.711 -15.749 1.00 0.00 H new ATOM 0 HA LYS A 52 -5.777 8.064 -17.440 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -6.802 8.779 -14.672 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -5.881 9.794 -15.764 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -7.820 9.713 -17.400 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -8.740 8.809 -16.213 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -8.306 10.733 -14.561 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -7.634 11.641 -15.901 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -10.478 10.535 -15.758 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -10.026 12.211 -15.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -10.809 11.913 -17.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -9.141 12.223 -17.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -9.720 10.642 -18.012 1.00 0.00 H new ATOM 797 N LEU A 53 -5.284 6.381 -14.625 1.00 0.00 N ATOM 798 CA LEU A 53 -4.324 5.694 -13.780 1.00 0.00 C ATOM 799 C LEU A 53 -4.813 4.266 -13.569 1.00 0.00 C ATOM 800 O LEU A 53 -5.930 4.058 -13.095 1.00 0.00 O ATOM 801 CB LEU A 53 -4.240 6.419 -12.432 1.00 0.00 C ATOM 802 CG LEU A 53 -3.249 5.789 -11.445 1.00 0.00 C ATOM 803 CD1 LEU A 53 -1.797 6.070 -11.846 1.00 0.00 C ATOM 804 CD2 LEU A 53 -3.523 6.365 -10.056 1.00 0.00 C ATOM 0 H LEU A 53 -6.249 6.238 -14.328 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.338 5.684 -14.244 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.954 7.456 -12.606 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -5.230 6.434 -11.977 1.00 0.00 H new ATOM 0 HG LEU A 53 -3.385 4.708 -11.449 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.124 5.608 -11.123 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.606 5.656 -12.836 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -1.626 7.146 -11.864 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -2.828 5.929 -9.338 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -3.391 7.447 -10.078 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -4.545 6.130 -9.760 1.00 0.00 H new ATOM 816 N THR A 54 -3.975 3.278 -13.879 1.00 0.00 N ATOM 817 CA THR A 54 -4.320 1.887 -13.644 1.00 0.00 C ATOM 818 C THR A 54 -3.946 1.564 -12.198 1.00 0.00 C ATOM 819 O THR A 54 -2.775 1.354 -11.889 1.00 0.00 O ATOM 820 CB THR A 54 -3.580 0.997 -14.649 1.00 0.00 C ATOM 821 OG1 THR A 54 -3.875 1.424 -15.963 1.00 0.00 O ATOM 822 CG2 THR A 54 -3.949 -0.480 -14.512 1.00 0.00 C ATOM 0 H THR A 54 -3.054 3.420 -14.293 1.00 0.00 H new ATOM 0 HA THR A 54 -5.385 1.704 -13.786 1.00 0.00 H new ATOM 0 HB THR A 54 -2.515 1.092 -14.438 1.00 0.00 H new ATOM 0 HG1 THR A 54 -3.401 0.856 -16.606 1.00 0.00 H new ATOM 0 HG21 THR A 54 -3.396 -1.063 -15.248 1.00 0.00 H new ATOM 0 HG22 THR A 54 -3.696 -0.827 -13.510 1.00 0.00 H new ATOM 0 HG23 THR A 54 -5.019 -0.605 -14.680 1.00 0.00 H new ATOM 830 N VAL A 55 -4.921 1.524 -11.293 1.00 0.00 N ATOM 831 CA VAL A 55 -4.631 1.172 -9.912 1.00 0.00 C ATOM 832 C VAL A 55 -4.506 -0.348 -9.853 1.00 0.00 C ATOM 833 O VAL A 55 -5.321 -1.076 -10.425 1.00 0.00 O ATOM 834 CB VAL A 55 -5.706 1.715 -8.967 1.00 0.00 C ATOM 835 CG1 VAL A 55 -5.433 1.289 -7.519 1.00 0.00 C ATOM 836 CG2 VAL A 55 -5.719 3.246 -9.008 1.00 0.00 C ATOM 0 H VAL A 55 -5.901 1.728 -11.489 1.00 0.00 H new ATOM 0 HA VAL A 55 -3.698 1.626 -9.578 1.00 0.00 H new ATOM 0 HB VAL A 55 -6.664 1.312 -9.296 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.212 1.688 -6.869 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -5.429 0.201 -7.454 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -4.464 1.675 -7.203 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -6.487 3.622 -8.332 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -4.746 3.627 -8.698 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -5.933 3.581 -10.023 1.00 0.00 H new ATOM 846 N ALA A 56 -3.464 -0.830 -9.186 1.00 0.00 N ATOM 847 CA ALA A 56 -3.173 -2.245 -9.088 1.00 0.00 C ATOM 848 C ALA A 56 -2.740 -2.601 -7.674 1.00 0.00 C ATOM 849 O ALA A 56 -2.213 -1.762 -6.944 1.00 0.00 O ATOM 850 CB ALA A 56 -2.101 -2.605 -10.119 1.00 0.00 C ATOM 0 H ALA A 56 -2.794 -0.239 -8.695 1.00 0.00 H new ATOM 0 HA ALA A 56 -4.070 -2.826 -9.303 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -1.875 -3.669 -10.053 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -2.466 -2.373 -11.120 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -1.197 -2.029 -9.920 1.00 0.00 H new ATOM 856 N LYS A 57 -2.955 -3.858 -7.295 1.00 0.00 N ATOM 857 CA LYS A 57 -2.588 -4.412 -6.005 1.00 0.00 C ATOM 858 C LYS A 57 -1.753 -5.658 -6.264 1.00 0.00 C ATOM 859 O LYS A 57 -2.093 -6.444 -7.141 1.00 0.00 O ATOM 860 CB LYS A 57 -3.846 -4.759 -5.198 1.00 0.00 C ATOM 861 CG LYS A 57 -4.319 -3.571 -4.353 1.00 0.00 C ATOM 862 CD LYS A 57 -5.574 -3.954 -3.554 1.00 0.00 C ATOM 863 CE LYS A 57 -5.958 -2.869 -2.539 1.00 0.00 C ATOM 864 NZ LYS A 57 -4.985 -2.770 -1.434 1.00 0.00 N ATOM 0 H LYS A 57 -3.407 -4.540 -7.904 1.00 0.00 H new ATOM 0 HA LYS A 57 -2.016 -3.689 -5.423 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -4.642 -5.063 -5.877 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -3.639 -5.609 -4.548 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -3.526 -3.261 -3.672 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -4.536 -2.720 -4.998 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -6.405 -4.120 -4.240 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -5.399 -4.895 -3.032 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -6.028 -1.907 -3.047 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -6.946 -3.087 -2.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -5.366 -2.151 -0.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -4.810 -3.716 -1.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -4.093 -2.373 -1.792 1.00 0.00 H new ATOM 878 N LEU A 58 -0.670 -5.849 -5.516 1.00 0.00 N ATOM 879 CA LEU A 58 0.196 -7.006 -5.643 1.00 0.00 C ATOM 880 C LEU A 58 0.364 -7.649 -4.271 1.00 0.00 C ATOM 881 O LEU A 58 0.913 -7.039 -3.356 1.00 0.00 O ATOM 882 CB LEU A 58 1.512 -6.584 -6.292 1.00 0.00 C ATOM 883 CG LEU A 58 2.396 -7.807 -6.590 1.00 0.00 C ATOM 884 CD1 LEU A 58 3.190 -7.523 -7.860 1.00 0.00 C ATOM 885 CD2 LEU A 58 3.381 -8.114 -5.455 1.00 0.00 C ATOM 0 H LEU A 58 -0.369 -5.192 -4.796 1.00 0.00 H new ATOM 0 HA LEU A 58 -0.239 -7.763 -6.296 1.00 0.00 H new ATOM 0 HB2 LEU A 58 1.309 -6.044 -7.217 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.044 -5.898 -5.632 1.00 0.00 H new ATOM 0 HG LEU A 58 1.744 -8.673 -6.702 1.00 0.00 H new ATOM 0 HD11 LEU A 58 3.825 -8.378 -8.091 1.00 0.00 H new ATOM 0 HD12 LEU A 58 2.502 -7.348 -8.687 1.00 0.00 H new ATOM 0 HD13 LEU A 58 3.811 -6.640 -7.711 1.00 0.00 H new ATOM 0 HD21 LEU A 58 3.979 -8.986 -5.718 1.00 0.00 H new ATOM 0 HD22 LEU A 58 4.037 -7.257 -5.301 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.828 -8.317 -4.538 1.00 0.00 H new ATOM 897 N ASN A 59 -0.131 -8.879 -4.125 1.00 0.00 N ATOM 898 CA ASN A 59 -0.052 -9.619 -2.877 1.00 0.00 C ATOM 899 C ASN A 59 1.356 -10.203 -2.732 1.00 0.00 C ATOM 900 O ASN A 59 1.696 -11.180 -3.407 1.00 0.00 O ATOM 901 CB ASN A 59 -1.129 -10.706 -2.861 1.00 0.00 C ATOM 902 CG ASN A 59 -1.079 -11.499 -1.561 1.00 0.00 C ATOM 903 OD1 ASN A 59 -0.114 -12.207 -1.309 1.00 0.00 O ATOM 904 ND2 ASN A 59 -2.091 -11.382 -0.712 1.00 0.00 N ATOM 0 H ASN A 59 -0.599 -9.387 -4.876 1.00 0.00 H new ATOM 0 HA ASN A 59 -0.234 -8.962 -2.027 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -2.113 -10.251 -2.977 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -0.987 -11.378 -3.708 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -2.075 -11.889 0.173 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -2.885 -10.785 -0.944 1.00 0.00 H new ATOM 911 N ILE A 60 2.177 -9.602 -1.869 1.00 0.00 N ATOM 912 CA ILE A 60 3.553 -10.033 -1.659 1.00 0.00 C ATOM 913 C ILE A 60 3.633 -11.397 -0.975 1.00 0.00 C ATOM 914 O ILE A 60 4.593 -12.127 -1.192 1.00 0.00 O ATOM 915 CB ILE A 60 4.370 -8.978 -0.895 1.00 0.00 C ATOM 916 CG1 ILE A 60 3.935 -8.832 0.574 1.00 0.00 C ATOM 917 CG2 ILE A 60 4.320 -7.628 -1.621 1.00 0.00 C ATOM 918 CD1 ILE A 60 4.872 -9.573 1.533 1.00 0.00 C ATOM 0 H ILE A 60 1.903 -8.803 -1.298 1.00 0.00 H new ATOM 0 HA ILE A 60 3.998 -10.143 -2.648 1.00 0.00 H new ATOM 0 HB ILE A 60 5.401 -9.330 -0.876 1.00 0.00 H new ATOM 0 HG12 ILE A 60 3.908 -7.775 0.840 1.00 0.00 H new ATOM 0 HG13 ILE A 60 2.921 -9.216 0.691 1.00 0.00 H new ATOM 0 HG21 ILE A 60 4.904 -6.894 -1.065 1.00 0.00 H new ATOM 0 HG22 ILE A 60 4.735 -7.738 -2.623 1.00 0.00 H new ATOM 0 HG23 ILE A 60 3.286 -7.291 -1.691 1.00 0.00 H new ATOM 0 HD11 ILE A 60 4.524 -9.440 2.557 1.00 0.00 H new ATOM 0 HD12 ILE A 60 4.879 -10.635 1.287 1.00 0.00 H new ATOM 0 HD13 ILE A 60 5.881 -9.172 1.438 1.00 0.00 H new ATOM 930 N ASP A 61 2.643 -11.755 -0.151 1.00 0.00 N ATOM 931 CA ASP A 61 2.645 -13.042 0.541 1.00 0.00 C ATOM 932 C ASP A 61 2.742 -14.177 -0.479 1.00 0.00 C ATOM 933 O ASP A 61 3.520 -15.112 -0.313 1.00 0.00 O ATOM 934 CB ASP A 61 1.402 -13.207 1.429 1.00 0.00 C ATOM 935 CG ASP A 61 1.300 -12.139 2.514 1.00 0.00 C ATOM 936 OD1 ASP A 61 2.314 -11.948 3.221 1.00 0.00 O ATOM 937 OD2 ASP A 61 0.212 -11.528 2.622 1.00 0.00 O ATOM 0 H ASP A 61 1.832 -11.170 0.051 1.00 0.00 H new ATOM 0 HA ASP A 61 3.515 -13.078 1.197 1.00 0.00 H new ATOM 0 HB2 ASP A 61 0.509 -13.170 0.805 1.00 0.00 H new ATOM 0 HB3 ASP A 61 1.424 -14.191 1.896 1.00 0.00 H new ATOM 942 N GLN A 62 1.950 -14.077 -1.548 1.00 0.00 N ATOM 943 CA GLN A 62 1.944 -15.030 -2.645 1.00 0.00 C ATOM 944 C GLN A 62 3.089 -14.732 -3.617 1.00 0.00 C ATOM 945 O GLN A 62 3.605 -15.650 -4.249 1.00 0.00 O ATOM 946 CB GLN A 62 0.586 -14.973 -3.362 1.00 0.00 C ATOM 947 CG GLN A 62 -0.603 -15.339 -2.458 1.00 0.00 C ATOM 948 CD GLN A 62 -0.567 -16.787 -1.982 1.00 0.00 C ATOM 949 OE1 GLN A 62 -1.199 -17.655 -2.576 1.00 0.00 O ATOM 950 NE2 GLN A 62 0.164 -17.067 -0.907 1.00 0.00 N ATOM 0 H GLN A 62 1.284 -13.314 -1.672 1.00 0.00 H new ATOM 0 HA GLN A 62 2.093 -16.036 -2.252 1.00 0.00 H new ATOM 0 HB2 GLN A 62 0.435 -13.969 -3.758 1.00 0.00 H new ATOM 0 HB3 GLN A 62 0.606 -15.652 -4.215 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -0.610 -14.678 -1.592 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -1.532 -15.164 -3.001 1.00 0.00 H new ATOM 0 HE21 GLN A 62 0.679 -16.325 -0.433 1.00 0.00 H new ATOM 0 HE22 GLN A 62 0.210 -18.024 -0.556 1.00 0.00 H new ATOM 959 N ASN A 63 3.473 -13.457 -3.763 1.00 0.00 N ATOM 960 CA ASN A 63 4.510 -13.024 -4.702 1.00 0.00 C ATOM 961 C ASN A 63 5.677 -12.345 -3.978 1.00 0.00 C ATOM 962 O ASN A 63 5.867 -11.134 -4.130 1.00 0.00 O ATOM 963 CB ASN A 63 3.882 -12.072 -5.726 1.00 0.00 C ATOM 964 CG ASN A 63 2.707 -12.720 -6.442 1.00 0.00 C ATOM 965 OD1 ASN A 63 2.882 -13.405 -7.443 1.00 0.00 O ATOM 966 ND2 ASN A 63 1.496 -12.498 -5.949 1.00 0.00 N ATOM 0 H ASN A 63 3.067 -12.691 -3.226 1.00 0.00 H new ATOM 0 HA ASN A 63 4.916 -13.899 -5.210 1.00 0.00 H new ATOM 0 HB2 ASN A 63 3.548 -11.164 -5.223 1.00 0.00 H new ATOM 0 HB3 ASN A 63 4.634 -11.773 -6.456 1.00 0.00 H new ATOM 0 HD21 ASN A 63 0.678 -12.902 -6.405 1.00 0.00 H new ATOM 0 HD22 ASN A 63 1.383 -11.923 -5.114 1.00 0.00 H new ATOM 973 N PRO A 64 6.476 -13.091 -3.196 1.00 0.00 N ATOM 974 CA PRO A 64 7.568 -12.520 -2.427 1.00 0.00 C ATOM 975 C PRO A 64 8.622 -11.857 -3.309 1.00 0.00 C ATOM 976 O PRO A 64 8.956 -10.703 -3.068 1.00 0.00 O ATOM 977 CB PRO A 64 8.131 -13.664 -1.578 1.00 0.00 C ATOM 978 CG PRO A 64 7.696 -14.929 -2.318 1.00 0.00 C ATOM 979 CD PRO A 64 6.364 -14.518 -2.946 1.00 0.00 C ATOM 0 HA PRO A 64 7.215 -11.708 -1.791 1.00 0.00 H new ATOM 0 HB2 PRO A 64 9.216 -13.603 -1.497 1.00 0.00 H new ATOM 0 HB3 PRO A 64 7.734 -13.640 -0.563 1.00 0.00 H new ATOM 0 HG2 PRO A 64 8.424 -15.226 -3.073 1.00 0.00 H new ATOM 0 HG3 PRO A 64 7.579 -15.774 -1.639 1.00 0.00 H new ATOM 0 HD2 PRO A 64 6.181 -15.065 -3.871 1.00 0.00 H new ATOM 0 HD3 PRO A 64 5.531 -14.735 -2.277 1.00 0.00 H new ATOM 987 N GLY A 65 9.143 -12.575 -4.312 1.00 0.00 N ATOM 988 CA GLY A 65 10.196 -12.123 -5.226 1.00 0.00 C ATOM 989 C GLY A 65 10.092 -10.652 -5.639 1.00 0.00 C ATOM 990 O GLY A 65 11.083 -9.923 -5.641 1.00 0.00 O ATOM 0 H GLY A 65 8.829 -13.524 -4.516 1.00 0.00 H new ATOM 0 HA2 GLY A 65 11.164 -12.287 -4.753 1.00 0.00 H new ATOM 0 HA3 GLY A 65 10.171 -12.742 -6.123 1.00 0.00 H new ATOM 994 N THR A 66 8.887 -10.210 -5.994 1.00 0.00 N ATOM 995 CA THR A 66 8.614 -8.845 -6.402 1.00 0.00 C ATOM 996 C THR A 66 9.120 -7.803 -5.389 1.00 0.00 C ATOM 997 O THR A 66 9.561 -6.726 -5.788 1.00 0.00 O ATOM 998 CB THR A 66 7.116 -8.716 -6.746 1.00 0.00 C ATOM 999 OG1 THR A 66 6.441 -9.951 -6.542 1.00 0.00 O ATOM 1000 CG2 THR A 66 6.970 -8.327 -8.220 1.00 0.00 C ATOM 0 H THR A 66 8.060 -10.808 -6.004 1.00 0.00 H new ATOM 0 HA THR A 66 9.185 -8.619 -7.303 1.00 0.00 H new ATOM 0 HB THR A 66 6.679 -7.956 -6.097 1.00 0.00 H new ATOM 0 HG1 THR A 66 6.360 -10.125 -5.581 1.00 0.00 H new ATOM 0 HG21 THR A 66 5.913 -8.234 -8.469 1.00 0.00 H new ATOM 0 HG22 THR A 66 7.469 -7.374 -8.396 1.00 0.00 H new ATOM 0 HG23 THR A 66 7.424 -9.095 -8.846 1.00 0.00 H new ATOM 1008 N ALA A 67 9.088 -8.111 -4.087 1.00 0.00 N ATOM 1009 CA ALA A 67 9.560 -7.202 -3.049 1.00 0.00 C ATOM 1010 C ALA A 67 11.037 -6.818 -3.241 1.00 0.00 C ATOM 1011 O ALA A 67 11.300 -5.652 -3.546 1.00 0.00 O ATOM 1012 CB ALA A 67 9.212 -7.730 -1.652 1.00 0.00 C ATOM 0 H ALA A 67 8.734 -8.998 -3.729 1.00 0.00 H new ATOM 0 HA ALA A 67 9.022 -6.259 -3.147 1.00 0.00 H new ATOM 0 HB1 ALA A 67 9.576 -7.032 -0.898 1.00 0.00 H new ATOM 0 HB2 ALA A 67 8.131 -7.832 -1.560 1.00 0.00 H new ATOM 0 HB3 ALA A 67 9.682 -8.702 -1.503 1.00 0.00 H new ATOM 1018 N PRO A 68 12.017 -7.730 -3.090 1.00 0.00 N ATOM 1019 CA PRO A 68 13.413 -7.397 -3.315 1.00 0.00 C ATOM 1020 C PRO A 68 13.642 -6.907 -4.748 1.00 0.00 C ATOM 1021 O PRO A 68 14.428 -5.981 -4.932 1.00 0.00 O ATOM 1022 CB PRO A 68 14.224 -8.655 -2.985 1.00 0.00 C ATOM 1023 CG PRO A 68 13.214 -9.787 -3.147 1.00 0.00 C ATOM 1024 CD PRO A 68 11.905 -9.128 -2.712 1.00 0.00 C ATOM 0 HA PRO A 68 13.732 -6.573 -2.677 1.00 0.00 H new ATOM 0 HB2 PRO A 68 15.071 -8.774 -3.660 1.00 0.00 H new ATOM 0 HB3 PRO A 68 14.626 -8.618 -1.973 1.00 0.00 H new ATOM 0 HG2 PRO A 68 13.166 -10.144 -4.176 1.00 0.00 H new ATOM 0 HG3 PRO A 68 13.463 -10.645 -2.523 1.00 0.00 H new ATOM 0 HD2 PRO A 68 11.051 -9.597 -3.200 1.00 0.00 H new ATOM 0 HD3 PRO A 68 11.754 -9.231 -1.637 1.00 0.00 H new ATOM 1032 N LYS A 69 12.957 -7.476 -5.755 1.00 0.00 N ATOM 1033 CA LYS A 69 13.115 -7.015 -7.138 1.00 0.00 C ATOM 1034 C LYS A 69 12.939 -5.497 -7.255 1.00 0.00 C ATOM 1035 O LYS A 69 13.664 -4.861 -8.017 1.00 0.00 O ATOM 1036 CB LYS A 69 12.142 -7.731 -8.083 1.00 0.00 C ATOM 1037 CG LYS A 69 12.565 -9.172 -8.392 1.00 0.00 C ATOM 1038 CD LYS A 69 11.493 -9.844 -9.260 1.00 0.00 C ATOM 1039 CE LYS A 69 11.870 -11.291 -9.587 1.00 0.00 C ATOM 1040 NZ LYS A 69 10.825 -11.940 -10.398 1.00 0.00 N ATOM 0 H LYS A 69 12.298 -8.245 -5.636 1.00 0.00 H new ATOM 0 HA LYS A 69 14.134 -7.264 -7.436 1.00 0.00 H new ATOM 0 HB2 LYS A 69 11.148 -7.737 -7.637 1.00 0.00 H new ATOM 0 HB3 LYS A 69 12.070 -7.171 -9.015 1.00 0.00 H new ATOM 0 HG2 LYS A 69 13.524 -9.178 -8.910 1.00 0.00 H new ATOM 0 HG3 LYS A 69 12.700 -9.730 -7.465 1.00 0.00 H new ATOM 0 HD2 LYS A 69 10.535 -9.824 -8.740 1.00 0.00 H new ATOM 0 HD3 LYS A 69 11.365 -9.281 -10.185 1.00 0.00 H new ATOM 0 HE2 LYS A 69 12.817 -11.311 -10.126 1.00 0.00 H new ATOM 0 HE3 LYS A 69 12.017 -11.850 -8.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 11.047 -12.950 -10.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 9.904 -11.836 -9.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 10.785 -11.492 -11.336 1.00 0.00 H new ATOM 1054 N TYR A 70 11.996 -4.912 -6.502 1.00 0.00 N ATOM 1055 CA TYR A 70 11.765 -3.470 -6.499 1.00 0.00 C ATOM 1056 C TYR A 70 12.181 -2.836 -5.169 1.00 0.00 C ATOM 1057 O TYR A 70 11.726 -1.742 -4.829 1.00 0.00 O ATOM 1058 CB TYR A 70 10.315 -3.192 -6.910 1.00 0.00 C ATOM 1059 CG TYR A 70 10.112 -3.511 -8.376 1.00 0.00 C ATOM 1060 CD1 TYR A 70 10.669 -2.649 -9.340 1.00 0.00 C ATOM 1061 CD2 TYR A 70 9.715 -4.809 -8.751 1.00 0.00 C ATOM 1062 CE1 TYR A 70 10.877 -3.098 -10.655 1.00 0.00 C ATOM 1063 CE2 TYR A 70 9.974 -5.275 -10.050 1.00 0.00 C ATOM 1064 CZ TYR A 70 10.587 -4.431 -10.990 1.00 0.00 C ATOM 1065 OH TYR A 70 10.890 -4.912 -12.228 1.00 0.00 O ATOM 0 H TYR A 70 11.375 -5.430 -5.880 1.00 0.00 H new ATOM 0 HA TYR A 70 12.403 -2.986 -7.238 1.00 0.00 H new ATOM 0 HB2 TYR A 70 9.637 -3.792 -6.303 1.00 0.00 H new ATOM 0 HB3 TYR A 70 10.071 -2.147 -6.721 1.00 0.00 H new ATOM 0 HD1 TYR A 70 10.937 -1.639 -9.068 1.00 0.00 H new ATOM 0 HD2 TYR A 70 9.211 -5.446 -8.039 1.00 0.00 H new ATOM 0 HE1 TYR A 70 11.258 -2.421 -11.405 1.00 0.00 H new ATOM 0 HE2 TYR A 70 9.702 -6.283 -10.326 1.00 0.00 H new ATOM 0 HH TYR A 70 10.622 -5.853 -12.288 1.00 0.00 H new ATOM 1075 N GLY A 71 13.073 -3.520 -4.444 1.00 0.00 N ATOM 1076 CA GLY A 71 13.643 -3.104 -3.175 1.00 0.00 C ATOM 1077 C GLY A 71 12.611 -2.506 -2.227 1.00 0.00 C ATOM 1078 O GLY A 71 12.883 -1.474 -1.618 1.00 0.00 O ATOM 0 H GLY A 71 13.430 -4.425 -4.750 1.00 0.00 H new ATOM 0 HA2 GLY A 71 14.114 -3.962 -2.696 1.00 0.00 H new ATOM 0 HA3 GLY A 71 14.428 -2.370 -3.359 1.00 0.00 H new ATOM 1082 N ILE A 72 11.430 -3.126 -2.132 1.00 0.00 N ATOM 1083 CA ILE A 72 10.339 -2.667 -1.271 1.00 0.00 C ATOM 1084 C ILE A 72 10.835 -2.255 0.120 1.00 0.00 C ATOM 1085 O ILE A 72 11.594 -2.976 0.761 1.00 0.00 O ATOM 1086 CB ILE A 72 9.205 -3.715 -1.247 1.00 0.00 C ATOM 1087 CG1 ILE A 72 8.159 -3.444 -2.344 1.00 0.00 C ATOM 1088 CG2 ILE A 72 8.472 -3.807 0.097 1.00 0.00 C ATOM 1089 CD1 ILE A 72 8.728 -3.256 -3.751 1.00 0.00 C ATOM 0 H ILE A 72 11.204 -3.970 -2.658 1.00 0.00 H new ATOM 0 HA ILE A 72 9.917 -1.755 -1.693 1.00 0.00 H new ATOM 0 HB ILE A 72 9.710 -4.664 -1.424 1.00 0.00 H new ATOM 0 HG12 ILE A 72 7.452 -4.273 -2.363 1.00 0.00 H new ATOM 0 HG13 ILE A 72 7.596 -2.551 -2.074 1.00 0.00 H new ATOM 0 HG21 ILE A 72 7.690 -4.564 0.034 1.00 0.00 H new ATOM 0 HG22 ILE A 72 9.180 -4.080 0.880 1.00 0.00 H new ATOM 0 HG23 ILE A 72 8.024 -2.842 0.334 1.00 0.00 H new ATOM 0 HD11 ILE A 72 7.913 -3.071 -4.451 1.00 0.00 H new ATOM 0 HD12 ILE A 72 9.411 -2.407 -3.757 1.00 0.00 H new ATOM 0 HD13 ILE A 72 9.265 -4.156 -4.049 1.00 0.00 H new ATOM 1101 N ARG A 73 10.389 -1.076 0.567 1.00 0.00 N ATOM 1102 CA ARG A 73 10.778 -0.475 1.833 1.00 0.00 C ATOM 1103 C ARG A 73 10.008 -1.151 2.969 1.00 0.00 C ATOM 1104 O ARG A 73 10.598 -1.602 3.948 1.00 0.00 O ATOM 1105 CB ARG A 73 10.455 1.028 1.787 1.00 0.00 C ATOM 1106 CG ARG A 73 11.484 1.891 1.038 1.00 0.00 C ATOM 1107 CD ARG A 73 11.708 1.513 -0.430 1.00 0.00 C ATOM 1108 NE ARG A 73 10.496 1.649 -1.259 1.00 0.00 N ATOM 1109 CZ ARG A 73 10.355 1.111 -2.483 1.00 0.00 C ATOM 1110 NH1 ARG A 73 11.242 0.218 -2.937 1.00 0.00 N ATOM 1111 NH2 ARG A 73 9.330 1.461 -3.264 1.00 0.00 N ATOM 0 H ARG A 73 9.730 -0.504 0.039 1.00 0.00 H new ATOM 0 HA ARG A 73 11.846 -0.608 2.005 1.00 0.00 H new ATOM 0 HB2 ARG A 73 9.481 1.161 1.317 1.00 0.00 H new ATOM 0 HB3 ARG A 73 10.369 1.397 2.809 1.00 0.00 H new ATOM 0 HG2 ARG A 73 11.163 2.932 1.084 1.00 0.00 H new ATOM 0 HG3 ARG A 73 12.438 1.828 1.562 1.00 0.00 H new ATOM 0 HD2 ARG A 73 12.495 2.143 -0.844 1.00 0.00 H new ATOM 0 HD3 ARG A 73 12.062 0.484 -0.483 1.00 0.00 H new ATOM 0 HE ARG A 73 9.715 2.185 -0.880 1.00 0.00 H new ATOM 0 HH11 ARG A 73 12.031 -0.059 -2.353 1.00 0.00 H new ATOM 0 HH12 ARG A 73 11.129 -0.186 -3.867 1.00 0.00 H new ATOM 0 HH21 ARG A 73 8.646 2.142 -2.933 1.00 0.00 H new ATOM 0 HH22 ARG A 73 9.231 1.048 -4.191 1.00 0.00 H new ATOM 1125 N GLY A 74 8.683 -1.224 2.839 1.00 0.00 N ATOM 1126 CA GLY A 74 7.806 -1.851 3.810 1.00 0.00 C ATOM 1127 C GLY A 74 6.390 -1.729 3.281 1.00 0.00 C ATOM 1128 O GLY A 74 6.013 -0.673 2.772 1.00 0.00 O ATOM 0 H GLY A 74 8.186 -0.839 2.036 1.00 0.00 H new ATOM 0 HA2 GLY A 74 8.075 -2.898 3.952 1.00 0.00 H new ATOM 0 HA3 GLY A 74 7.897 -1.364 4.781 1.00 0.00 H new ATOM 1132 N ILE A 75 5.618 -2.810 3.352 1.00 0.00 N ATOM 1133 CA ILE A 75 4.269 -2.823 2.809 1.00 0.00 C ATOM 1134 C ILE A 75 3.270 -2.151 3.765 1.00 0.00 C ATOM 1135 O ILE A 75 3.426 -2.266 4.980 1.00 0.00 O ATOM 1136 CB ILE A 75 3.867 -4.232 2.331 1.00 0.00 C ATOM 1137 CG1 ILE A 75 4.148 -5.394 3.294 1.00 0.00 C ATOM 1138 CG2 ILE A 75 4.622 -4.567 1.039 1.00 0.00 C ATOM 1139 CD1 ILE A 75 3.360 -5.289 4.590 1.00 0.00 C ATOM 0 H ILE A 75 5.907 -3.689 3.782 1.00 0.00 H new ATOM 0 HA ILE A 75 4.247 -2.208 1.909 1.00 0.00 H new ATOM 0 HB ILE A 75 2.785 -4.161 2.221 1.00 0.00 H new ATOM 0 HG12 ILE A 75 3.904 -6.335 2.801 1.00 0.00 H new ATOM 0 HG13 ILE A 75 5.213 -5.421 3.523 1.00 0.00 H new ATOM 0 HG21 ILE A 75 4.339 -5.563 0.700 1.00 0.00 H new ATOM 0 HG22 ILE A 75 4.370 -3.837 0.270 1.00 0.00 H new ATOM 0 HG23 ILE A 75 5.695 -4.539 1.227 1.00 0.00 H new ATOM 0 HD11 ILE A 75 3.599 -6.137 5.231 1.00 0.00 H new ATOM 0 HD12 ILE A 75 3.622 -4.363 5.101 1.00 0.00 H new ATOM 0 HD13 ILE A 75 2.293 -5.292 4.368 1.00 0.00 H new ATOM 1151 N PRO A 76 2.236 -1.449 3.265 1.00 0.00 N ATOM 1152 CA PRO A 76 1.923 -1.222 1.861 1.00 0.00 C ATOM 1153 C PRO A 76 2.943 -0.289 1.202 1.00 0.00 C ATOM 1154 O PRO A 76 3.309 0.732 1.782 1.00 0.00 O ATOM 1155 CB PRO A 76 0.527 -0.591 1.843 1.00 0.00 C ATOM 1156 CG PRO A 76 0.438 0.111 3.197 1.00 0.00 C ATOM 1157 CD PRO A 76 1.242 -0.811 4.112 1.00 0.00 C ATOM 0 HA PRO A 76 1.956 -2.155 1.298 1.00 0.00 H new ATOM 0 HB2 PRO A 76 0.415 0.112 1.018 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -0.253 -1.344 1.729 1.00 0.00 H new ATOM 0 HG2 PRO A 76 0.862 1.114 3.161 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -0.594 0.213 3.532 1.00 0.00 H new ATOM 0 HD2 PRO A 76 1.717 -0.247 4.914 1.00 0.00 H new ATOM 0 HD3 PRO A 76 0.597 -1.553 4.583 1.00 0.00 H new ATOM 1165 N THR A 77 3.401 -0.645 -0.003 1.00 0.00 N ATOM 1166 CA THR A 77 4.353 0.152 -0.770 1.00 0.00 C ATOM 1167 C THR A 77 3.719 0.456 -2.118 1.00 0.00 C ATOM 1168 O THR A 77 3.443 -0.471 -2.878 1.00 0.00 O ATOM 1169 CB THR A 77 5.689 -0.586 -0.956 1.00 0.00 C ATOM 1170 OG1 THR A 77 6.004 -1.358 0.179 1.00 0.00 O ATOM 1171 CG2 THR A 77 6.829 0.408 -1.189 1.00 0.00 C ATOM 0 H THR A 77 3.116 -1.504 -0.474 1.00 0.00 H new ATOM 0 HA THR A 77 4.577 1.073 -0.232 1.00 0.00 H new ATOM 0 HB THR A 77 5.577 -1.237 -1.823 1.00 0.00 H new ATOM 0 HG1 THR A 77 5.910 -0.808 0.985 1.00 0.00 H new ATOM 0 HG21 THR A 77 7.765 -0.136 -1.318 1.00 0.00 H new ATOM 0 HG22 THR A 77 6.623 0.994 -2.085 1.00 0.00 H new ATOM 0 HG23 THR A 77 6.912 1.074 -0.330 1.00 0.00 H new ATOM 1179 N LEU A 78 3.488 1.731 -2.425 1.00 0.00 N ATOM 1180 CA LEU A 78 2.892 2.137 -3.686 1.00 0.00 C ATOM 1181 C LEU A 78 4.035 2.496 -4.628 1.00 0.00 C ATOM 1182 O LEU A 78 4.839 3.361 -4.294 1.00 0.00 O ATOM 1183 CB LEU A 78 1.918 3.318 -3.509 1.00 0.00 C ATOM 1184 CG LEU A 78 1.170 3.372 -2.166 1.00 0.00 C ATOM 1185 CD1 LEU A 78 0.260 4.605 -2.132 1.00 0.00 C ATOM 1186 CD2 LEU A 78 0.313 2.124 -1.929 1.00 0.00 C ATOM 0 H LEU A 78 3.711 2.508 -1.803 1.00 0.00 H new ATOM 0 HA LEU A 78 2.296 1.322 -4.097 1.00 0.00 H new ATOM 0 HB2 LEU A 78 2.476 4.246 -3.630 1.00 0.00 H new ATOM 0 HB3 LEU A 78 1.182 3.281 -4.312 1.00 0.00 H new ATOM 0 HG LEU A 78 1.923 3.423 -1.380 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -0.269 4.641 -1.180 1.00 0.00 H new ATOM 0 HD12 LEU A 78 0.863 5.506 -2.246 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -0.463 4.547 -2.946 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -0.195 2.209 -0.969 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -0.427 2.034 -2.724 1.00 0.00 H new ATOM 0 HD23 LEU A 78 0.951 1.240 -1.925 1.00 0.00 H new ATOM 1198 N LEU A 79 4.130 1.844 -5.787 1.00 0.00 N ATOM 1199 CA LEU A 79 5.128 2.118 -6.814 1.00 0.00 C ATOM 1200 C LEU A 79 4.342 2.646 -8.008 1.00 0.00 C ATOM 1201 O LEU A 79 3.489 1.929 -8.531 1.00 0.00 O ATOM 1202 CB LEU A 79 5.829 0.827 -7.255 1.00 0.00 C ATOM 1203 CG LEU A 79 6.935 0.213 -6.379 1.00 0.00 C ATOM 1204 CD1 LEU A 79 8.269 0.939 -6.556 1.00 0.00 C ATOM 1205 CD2 LEU A 79 6.560 0.120 -4.900 1.00 0.00 C ATOM 0 H LEU A 79 3.494 1.088 -6.042 1.00 0.00 H new ATOM 0 HA LEU A 79 5.882 2.811 -6.442 1.00 0.00 H new ATOM 0 HB2 LEU A 79 5.058 0.067 -7.383 1.00 0.00 H new ATOM 0 HB3 LEU A 79 6.260 1.012 -8.239 1.00 0.00 H new ATOM 0 HG LEU A 79 7.050 -0.811 -6.735 1.00 0.00 H new ATOM 0 HD11 LEU A 79 9.023 0.475 -5.920 1.00 0.00 H new ATOM 0 HD12 LEU A 79 8.583 0.874 -7.598 1.00 0.00 H new ATOM 0 HD13 LEU A 79 8.153 1.986 -6.276 1.00 0.00 H new ATOM 0 HD21 LEU A 79 7.386 -0.322 -4.342 1.00 0.00 H new ATOM 0 HD22 LEU A 79 6.354 1.118 -4.513 1.00 0.00 H new ATOM 0 HD23 LEU A 79 5.672 -0.503 -4.788 1.00 0.00 H new ATOM 1217 N LEU A 80 4.610 3.873 -8.449 1.00 0.00 N ATOM 1218 CA LEU A 80 3.915 4.447 -9.586 1.00 0.00 C ATOM 1219 C LEU A 80 4.761 4.207 -10.833 1.00 0.00 C ATOM 1220 O LEU A 80 5.711 4.937 -11.100 1.00 0.00 O ATOM 1221 CB LEU A 80 3.613 5.914 -9.292 1.00 0.00 C ATOM 1222 CG LEU A 80 2.824 6.639 -10.400 1.00 0.00 C ATOM 1223 CD1 LEU A 80 1.889 5.751 -11.235 1.00 0.00 C ATOM 1224 CD2 LEU A 80 1.933 7.676 -9.715 1.00 0.00 C ATOM 0 H LEU A 80 5.308 4.487 -8.030 1.00 0.00 H new ATOM 0 HA LEU A 80 2.950 3.975 -9.770 1.00 0.00 H new ATOM 0 HB2 LEU A 80 3.049 5.976 -8.362 1.00 0.00 H new ATOM 0 HB3 LEU A 80 4.554 6.440 -9.130 1.00 0.00 H new ATOM 0 HG LEU A 80 3.569 7.045 -11.084 1.00 0.00 H new ATOM 0 HD11 LEU A 80 1.383 6.359 -11.985 1.00 0.00 H new ATOM 0 HD12 LEU A 80 2.471 4.974 -11.731 1.00 0.00 H new ATOM 0 HD13 LEU A 80 1.148 5.288 -10.583 1.00 0.00 H new ATOM 0 HD21 LEU A 80 1.356 8.213 -10.467 1.00 0.00 H new ATOM 0 HD22 LEU A 80 1.254 7.174 -9.026 1.00 0.00 H new ATOM 0 HD23 LEU A 80 2.554 8.381 -9.162 1.00 0.00 H new ATOM 1236 N PHE A 81 4.405 3.164 -11.581 1.00 0.00 N ATOM 1237 CA PHE A 81 5.081 2.726 -12.787 1.00 0.00 C ATOM 1238 C PHE A 81 4.488 3.403 -14.015 1.00 0.00 C ATOM 1239 O PHE A 81 3.402 3.031 -14.452 1.00 0.00 O ATOM 1240 CB PHE A 81 4.922 1.207 -12.920 1.00 0.00 C ATOM 1241 CG PHE A 81 5.870 0.406 -12.052 1.00 0.00 C ATOM 1242 CD1 PHE A 81 7.117 0.016 -12.571 1.00 0.00 C ATOM 1243 CD2 PHE A 81 5.471 -0.042 -10.783 1.00 0.00 C ATOM 1244 CE1 PHE A 81 7.952 -0.846 -11.842 1.00 0.00 C ATOM 1245 CE2 PHE A 81 6.302 -0.915 -10.059 1.00 0.00 C ATOM 1246 CZ PHE A 81 7.557 -1.279 -10.567 1.00 0.00 C ATOM 0 H PHE A 81 3.602 2.580 -11.347 1.00 0.00 H new ATOM 0 HA PHE A 81 6.135 2.994 -12.719 1.00 0.00 H new ATOM 0 HB2 PHE A 81 3.897 0.936 -12.665 1.00 0.00 H new ATOM 0 HB3 PHE A 81 5.076 0.927 -13.962 1.00 0.00 H new ATOM 0 HD1 PHE A 81 7.435 0.382 -13.536 1.00 0.00 H new ATOM 0 HD2 PHE A 81 4.530 0.282 -10.365 1.00 0.00 H new ATOM 0 HE1 PHE A 81 8.892 -1.174 -12.260 1.00 0.00 H new ATOM 0 HE2 PHE A 81 5.972 -1.307 -9.108 1.00 0.00 H new ATOM 0 HZ PHE A 81 8.220 -1.893 -9.976 1.00 0.00 H new ATOM 1256 N LYS A 82 5.217 4.343 -14.614 1.00 0.00 N ATOM 1257 CA LYS A 82 4.838 4.971 -15.868 1.00 0.00 C ATOM 1258 C LYS A 82 5.592 4.220 -16.960 1.00 0.00 C ATOM 1259 O LYS A 82 6.813 4.322 -17.050 1.00 0.00 O ATOM 1260 CB LYS A 82 5.154 6.471 -15.839 1.00 0.00 C ATOM 1261 CG LYS A 82 4.220 7.187 -14.854 1.00 0.00 C ATOM 1262 CD LYS A 82 4.434 8.709 -14.823 1.00 0.00 C ATOM 1263 CE LYS A 82 3.498 9.481 -15.764 1.00 0.00 C ATOM 1264 NZ LYS A 82 3.688 9.115 -17.177 1.00 0.00 N ATOM 0 H LYS A 82 6.097 4.691 -14.234 1.00 0.00 H new ATOM 0 HA LYS A 82 3.765 4.911 -16.053 1.00 0.00 H new ATOM 0 HB2 LYS A 82 6.192 6.626 -15.546 1.00 0.00 H new ATOM 0 HB3 LYS A 82 5.037 6.895 -16.837 1.00 0.00 H new ATOM 0 HG2 LYS A 82 3.185 6.976 -15.124 1.00 0.00 H new ATOM 0 HG3 LYS A 82 4.377 6.783 -13.854 1.00 0.00 H new ATOM 0 HD2 LYS A 82 4.287 9.067 -13.804 1.00 0.00 H new ATOM 0 HD3 LYS A 82 5.467 8.928 -15.092 1.00 0.00 H new ATOM 0 HE2 LYS A 82 2.464 9.290 -15.479 1.00 0.00 H new ATOM 0 HE3 LYS A 82 3.669 10.551 -15.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 3.160 9.777 -17.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 4.700 9.160 -17.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 3.338 8.148 -17.335 1.00 0.00 H new ATOM 1278 N ASN A 83 4.873 3.425 -17.759 1.00 0.00 N ATOM 1279 CA ASN A 83 5.448 2.619 -18.831 1.00 0.00 C ATOM 1280 C ASN A 83 6.665 1.830 -18.343 1.00 0.00 C ATOM 1281 O ASN A 83 7.740 1.885 -18.937 1.00 0.00 O ATOM 1282 CB ASN A 83 5.784 3.491 -20.050 1.00 0.00 C ATOM 1283 CG ASN A 83 4.543 4.136 -20.653 1.00 0.00 C ATOM 1284 OD1 ASN A 83 4.341 5.342 -20.543 1.00 0.00 O ATOM 1285 ND2 ASN A 83 3.683 3.342 -21.283 1.00 0.00 N ATOM 0 H ASN A 83 3.861 3.325 -17.675 1.00 0.00 H new ATOM 0 HA ASN A 83 4.700 1.890 -19.144 1.00 0.00 H new ATOM 0 HB2 ASN A 83 6.489 4.268 -19.756 1.00 0.00 H new ATOM 0 HB3 ASN A 83 6.279 2.881 -20.806 1.00 0.00 H new ATOM 0 HD21 ASN A 83 2.832 3.732 -21.689 1.00 0.00 H new ATOM 0 HD22 ASN A 83 3.874 2.343 -21.361 1.00 0.00 H new ATOM 1292 N GLY A 84 6.498 1.100 -17.238 1.00 0.00 N ATOM 1293 CA GLY A 84 7.559 0.283 -16.666 1.00 0.00 C ATOM 1294 C GLY A 84 8.599 1.062 -15.859 1.00 0.00 C ATOM 1295 O GLY A 84 9.354 0.444 -15.111 1.00 0.00 O ATOM 0 H GLY A 84 5.621 1.062 -16.718 1.00 0.00 H new ATOM 0 HA2 GLY A 84 7.110 -0.473 -16.021 1.00 0.00 H new ATOM 0 HA3 GLY A 84 8.066 -0.247 -17.472 1.00 0.00 H new ATOM 1299 N GLU A 85 8.648 2.394 -15.958 1.00 0.00 N ATOM 1300 CA GLU A 85 9.600 3.201 -15.211 1.00 0.00 C ATOM 1301 C GLU A 85 8.949 3.697 -13.922 1.00 0.00 C ATOM 1302 O GLU A 85 7.925 4.378 -13.971 1.00 0.00 O ATOM 1303 CB GLU A 85 10.068 4.384 -16.066 1.00 0.00 C ATOM 1304 CG GLU A 85 10.827 3.889 -17.299 1.00 0.00 C ATOM 1305 CD GLU A 85 11.229 5.051 -18.203 1.00 0.00 C ATOM 1306 OE1 GLU A 85 12.312 5.620 -17.945 1.00 0.00 O ATOM 1307 OE2 GLU A 85 10.444 5.353 -19.128 1.00 0.00 O ATOM 0 H GLU A 85 8.027 2.936 -16.559 1.00 0.00 H new ATOM 0 HA GLU A 85 10.469 2.594 -14.957 1.00 0.00 H new ATOM 0 HB2 GLU A 85 9.209 4.979 -16.376 1.00 0.00 H new ATOM 0 HB3 GLU A 85 10.710 5.036 -15.474 1.00 0.00 H new ATOM 0 HG2 GLU A 85 11.717 3.343 -16.986 1.00 0.00 H new ATOM 0 HG3 GLU A 85 10.204 3.190 -17.857 1.00 0.00 H new ATOM 1314 N VAL A 86 9.547 3.381 -12.773 1.00 0.00 N ATOM 1315 CA VAL A 86 9.058 3.880 -11.494 1.00 0.00 C ATOM 1316 C VAL A 86 9.248 5.400 -11.497 1.00 0.00 C ATOM 1317 O VAL A 86 10.375 5.882 -11.419 1.00 0.00 O ATOM 1318 CB VAL A 86 9.792 3.217 -10.311 1.00 0.00 C ATOM 1319 CG1 VAL A 86 9.327 3.814 -8.974 1.00 0.00 C ATOM 1320 CG2 VAL A 86 9.522 1.709 -10.265 1.00 0.00 C ATOM 0 H VAL A 86 10.370 2.782 -12.705 1.00 0.00 H new ATOM 0 HA VAL A 86 8.004 3.632 -11.367 1.00 0.00 H new ATOM 0 HB VAL A 86 10.856 3.401 -10.459 1.00 0.00 H new ATOM 0 HG11 VAL A 86 9.859 3.330 -8.155 1.00 0.00 H new ATOM 0 HG12 VAL A 86 9.536 4.884 -8.961 1.00 0.00 H new ATOM 0 HG13 VAL A 86 8.255 3.652 -8.856 1.00 0.00 H new ATOM 0 HG21 VAL A 86 10.053 1.270 -9.420 1.00 0.00 H new ATOM 0 HG22 VAL A 86 8.452 1.534 -10.152 1.00 0.00 H new ATOM 0 HG23 VAL A 86 9.869 1.249 -11.190 1.00 0.00 H new ATOM 1330 N ALA A 87 8.150 6.153 -11.585 1.00 0.00 N ATOM 1331 CA ALA A 87 8.174 7.606 -11.599 1.00 0.00 C ATOM 1332 C ALA A 87 8.356 8.111 -10.170 1.00 0.00 C ATOM 1333 O ALA A 87 9.102 9.058 -9.930 1.00 0.00 O ATOM 1334 CB ALA A 87 6.865 8.126 -12.199 1.00 0.00 C ATOM 0 H ALA A 87 7.211 5.760 -11.649 1.00 0.00 H new ATOM 0 HA ALA A 87 9.002 7.968 -12.208 1.00 0.00 H new ATOM 0 HB1 ALA A 87 6.878 9.216 -12.212 1.00 0.00 H new ATOM 0 HB2 ALA A 87 6.758 7.753 -13.217 1.00 0.00 H new ATOM 0 HB3 ALA A 87 6.026 7.780 -11.596 1.00 0.00 H new ATOM 1340 N ALA A 88 7.694 7.452 -9.216 1.00 0.00 N ATOM 1341 CA ALA A 88 7.786 7.758 -7.800 1.00 0.00 C ATOM 1342 C ALA A 88 7.247 6.566 -7.023 1.00 0.00 C ATOM 1343 O ALA A 88 6.715 5.618 -7.608 1.00 0.00 O ATOM 1344 CB ALA A 88 7.002 9.029 -7.466 1.00 0.00 C ATOM 0 H ALA A 88 7.066 6.674 -9.419 1.00 0.00 H new ATOM 0 HA ALA A 88 8.825 7.941 -7.525 1.00 0.00 H new ATOM 0 HB1 ALA A 88 7.085 9.238 -6.400 1.00 0.00 H new ATOM 0 HB2 ALA A 88 7.408 9.867 -8.033 1.00 0.00 H new ATOM 0 HB3 ALA A 88 5.953 8.889 -7.727 1.00 0.00 H new ATOM 1350 N THR A 89 7.371 6.621 -5.699 1.00 0.00 N ATOM 1351 CA THR A 89 6.899 5.582 -4.807 1.00 0.00 C ATOM 1352 C THR A 89 6.501 6.218 -3.475 1.00 0.00 C ATOM 1353 O THR A 89 6.947 7.324 -3.166 1.00 0.00 O ATOM 1354 CB THR A 89 7.973 4.487 -4.667 1.00 0.00 C ATOM 1355 OG1 THR A 89 7.545 3.457 -3.794 1.00 0.00 O ATOM 1356 CG2 THR A 89 9.323 5.013 -4.173 1.00 0.00 C ATOM 0 H THR A 89 7.810 7.404 -5.215 1.00 0.00 H new ATOM 0 HA THR A 89 6.013 5.091 -5.209 1.00 0.00 H new ATOM 0 HB THR A 89 8.113 4.098 -5.675 1.00 0.00 H new ATOM 0 HG1 THR A 89 6.597 3.266 -3.953 1.00 0.00 H new ATOM 0 HG21 THR A 89 10.030 4.187 -4.098 1.00 0.00 H new ATOM 0 HG22 THR A 89 9.704 5.754 -4.876 1.00 0.00 H new ATOM 0 HG23 THR A 89 9.198 5.473 -3.193 1.00 0.00 H new ATOM 1364 N LYS A 90 5.670 5.518 -2.703 1.00 0.00 N ATOM 1365 CA LYS A 90 5.190 5.895 -1.385 1.00 0.00 C ATOM 1366 C LYS A 90 5.207 4.638 -0.520 1.00 0.00 C ATOM 1367 O LYS A 90 5.090 3.528 -1.043 1.00 0.00 O ATOM 1368 CB LYS A 90 3.776 6.487 -1.485 1.00 0.00 C ATOM 1369 CG LYS A 90 3.801 7.973 -1.865 1.00 0.00 C ATOM 1370 CD LYS A 90 4.180 8.845 -0.657 1.00 0.00 C ATOM 1371 CE LYS A 90 4.199 10.334 -1.012 1.00 0.00 C ATOM 1372 NZ LYS A 90 2.858 10.829 -1.366 1.00 0.00 N ATOM 0 H LYS A 90 5.295 4.619 -3.005 1.00 0.00 H new ATOM 0 HA LYS A 90 5.825 6.661 -0.940 1.00 0.00 H new ATOM 0 HB2 LYS A 90 3.202 5.932 -2.228 1.00 0.00 H new ATOM 0 HB3 LYS A 90 3.264 6.365 -0.531 1.00 0.00 H new ATOM 0 HG2 LYS A 90 4.516 8.133 -2.672 1.00 0.00 H new ATOM 0 HG3 LYS A 90 2.823 8.272 -2.241 1.00 0.00 H new ATOM 0 HD2 LYS A 90 3.470 8.674 0.152 1.00 0.00 H new ATOM 0 HD3 LYS A 90 5.161 8.547 -0.288 1.00 0.00 H new ATOM 0 HE2 LYS A 90 4.586 10.904 -0.167 1.00 0.00 H new ATOM 0 HE3 LYS A 90 4.880 10.500 -1.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 2.791 11.842 -1.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 2.693 10.688 -2.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 2.141 10.306 -0.824 1.00 0.00 H new ATOM 1386 N VAL A 91 5.372 4.818 0.790 1.00 0.00 N ATOM 1387 CA VAL A 91 5.473 3.746 1.767 1.00 0.00 C ATOM 1388 C VAL A 91 4.480 4.039 2.890 1.00 0.00 C ATOM 1389 O VAL A 91 4.406 5.176 3.349 1.00 0.00 O ATOM 1390 CB VAL A 91 6.913 3.705 2.319 1.00 0.00 C ATOM 1391 CG1 VAL A 91 7.158 2.411 3.101 1.00 0.00 C ATOM 1392 CG2 VAL A 91 7.974 3.819 1.215 1.00 0.00 C ATOM 0 H VAL A 91 5.441 5.745 1.209 1.00 0.00 H new ATOM 0 HA VAL A 91 5.244 2.780 1.316 1.00 0.00 H new ATOM 0 HB VAL A 91 7.009 4.569 2.977 1.00 0.00 H new ATOM 0 HG11 VAL A 91 8.180 2.403 3.481 1.00 0.00 H new ATOM 0 HG12 VAL A 91 6.460 2.353 3.936 1.00 0.00 H new ATOM 0 HG13 VAL A 91 7.009 1.555 2.443 1.00 0.00 H new ATOM 0 HG21 VAL A 91 8.968 3.785 1.661 1.00 0.00 H new ATOM 0 HG22 VAL A 91 7.861 2.991 0.515 1.00 0.00 H new ATOM 0 HG23 VAL A 91 7.847 4.763 0.684 1.00 0.00 H new ATOM 1402 N GLY A 92 3.727 3.030 3.332 1.00 0.00 N ATOM 1403 CA GLY A 92 2.767 3.186 4.412 1.00 0.00 C ATOM 1404 C GLY A 92 1.438 3.761 3.921 1.00 0.00 C ATOM 1405 O GLY A 92 1.191 3.865 2.720 1.00 0.00 O ATOM 0 H GLY A 92 3.770 2.086 2.948 1.00 0.00 H new ATOM 0 HA2 GLY A 92 2.591 2.219 4.883 1.00 0.00 H new ATOM 0 HA3 GLY A 92 3.185 3.841 5.176 1.00 0.00 H new ATOM 1409 N ALA A 93 0.565 4.109 4.870 1.00 0.00 N ATOM 1410 CA ALA A 93 -0.752 4.650 4.576 1.00 0.00 C ATOM 1411 C ALA A 93 -0.665 6.104 4.105 1.00 0.00 C ATOM 1412 O ALA A 93 0.340 6.778 4.319 1.00 0.00 O ATOM 1413 CB ALA A 93 -1.648 4.519 5.811 1.00 0.00 C ATOM 0 H ALA A 93 0.759 4.020 5.867 1.00 0.00 H new ATOM 0 HA ALA A 93 -1.192 4.077 3.760 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -2.635 4.925 5.589 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -1.741 3.468 6.083 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -1.207 5.071 6.641 1.00 0.00 H new ATOM 1419 N LEU A 94 -1.745 6.588 3.487 1.00 0.00 N ATOM 1420 CA LEU A 94 -1.888 7.945 2.984 1.00 0.00 C ATOM 1421 C LEU A 94 -3.347 8.350 3.144 1.00 0.00 C ATOM 1422 O LEU A 94 -4.230 7.493 3.112 1.00 0.00 O ATOM 1423 CB LEU A 94 -1.564 7.985 1.483 1.00 0.00 C ATOM 1424 CG LEU A 94 -0.119 8.384 1.176 1.00 0.00 C ATOM 1425 CD1 LEU A 94 0.243 7.917 -0.232 1.00 0.00 C ATOM 1426 CD2 LEU A 94 -0.013 9.910 1.190 1.00 0.00 C ATOM 0 H LEU A 94 -2.574 6.018 3.320 1.00 0.00 H new ATOM 0 HA LEU A 94 -1.216 8.609 3.529 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -1.760 7.003 1.052 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -2.238 8.688 0.994 1.00 0.00 H new ATOM 0 HG LEU A 94 0.544 7.936 1.916 1.00 0.00 H new ATOM 0 HD11 LEU A 94 1.272 8.199 -0.456 1.00 0.00 H new ATOM 0 HD12 LEU A 94 0.142 6.833 -0.293 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -0.426 8.385 -0.954 1.00 0.00 H new ATOM 0 HD21 LEU A 94 1.013 10.205 0.972 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -0.679 10.328 0.435 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -0.298 10.286 2.173 1.00 0.00 H new ATOM 1438 N SER A 95 -3.597 9.655 3.245 1.00 0.00 N ATOM 1439 CA SER A 95 -4.939 10.196 3.239 1.00 0.00 C ATOM 1440 C SER A 95 -5.333 10.363 1.770 1.00 0.00 C ATOM 1441 O SER A 95 -4.474 10.569 0.908 1.00 0.00 O ATOM 1442 CB SER A 95 -4.940 11.523 4.001 1.00 0.00 C ATOM 1443 OG SER A 95 -3.861 12.329 3.564 1.00 0.00 O ATOM 0 H SER A 95 -2.867 10.362 3.333 1.00 0.00 H new ATOM 0 HA SER A 95 -5.661 9.546 3.733 1.00 0.00 H new ATOM 0 HB2 SER A 95 -5.884 12.044 3.840 1.00 0.00 H new ATOM 0 HB3 SER A 95 -4.857 11.338 5.072 1.00 0.00 H new ATOM 0 HG SER A 95 -3.867 13.178 4.054 1.00 0.00 H new ATOM 1449 N LYS A 96 -6.634 10.262 1.480 1.00 0.00 N ATOM 1450 CA LYS A 96 -7.157 10.372 0.125 1.00 0.00 C ATOM 1451 C LYS A 96 -6.591 11.611 -0.577 1.00 0.00 C ATOM 1452 O LYS A 96 -6.089 11.511 -1.691 1.00 0.00 O ATOM 1453 CB LYS A 96 -8.691 10.351 0.173 1.00 0.00 C ATOM 1454 CG LYS A 96 -9.316 10.268 -1.225 1.00 0.00 C ATOM 1455 CD LYS A 96 -10.815 9.951 -1.111 1.00 0.00 C ATOM 1456 CE LYS A 96 -11.486 9.889 -2.488 1.00 0.00 C ATOM 1457 NZ LYS A 96 -11.590 11.221 -3.109 1.00 0.00 N ATOM 0 H LYS A 96 -7.353 10.101 2.186 1.00 0.00 H new ATOM 0 HA LYS A 96 -6.836 9.519 -0.472 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -9.022 9.500 0.768 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -9.049 11.249 0.676 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -9.174 11.211 -1.753 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -8.816 9.497 -1.811 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -10.948 8.999 -0.598 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -11.303 10.712 -0.502 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -10.916 9.228 -3.140 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -12.481 9.457 -2.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -11.774 11.116 -4.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -12.370 11.749 -2.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -10.699 11.739 -2.970 1.00 0.00 H new ATOM 1471 N GLY A 97 -6.650 12.770 0.084 1.00 0.00 N ATOM 1472 CA GLY A 97 -6.130 14.018 -0.457 1.00 0.00 C ATOM 1473 C GLY A 97 -4.664 13.896 -0.880 1.00 0.00 C ATOM 1474 O GLY A 97 -4.337 14.100 -2.047 1.00 0.00 O ATOM 0 H GLY A 97 -7.062 12.864 1.012 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -6.731 14.319 -1.315 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -6.227 14.805 0.291 1.00 0.00 H new ATOM 1478 N GLN A 98 -3.778 13.547 0.057 1.00 0.00 N ATOM 1479 CA GLN A 98 -2.355 13.409 -0.217 1.00 0.00 C ATOM 1480 C GLN A 98 -2.109 12.431 -1.362 1.00 0.00 C ATOM 1481 O GLN A 98 -1.319 12.714 -2.263 1.00 0.00 O ATOM 1482 CB GLN A 98 -1.632 12.964 1.058 1.00 0.00 C ATOM 1483 CG GLN A 98 -1.661 14.022 2.168 1.00 0.00 C ATOM 1484 CD GLN A 98 -0.716 15.189 1.898 1.00 0.00 C ATOM 1485 OE1 GLN A 98 0.405 15.204 2.395 1.00 0.00 O ATOM 1486 NE2 GLN A 98 -1.139 16.179 1.117 1.00 0.00 N ATOM 0 H GLN A 98 -4.033 13.353 1.026 1.00 0.00 H new ATOM 0 HA GLN A 98 -1.958 14.375 -0.529 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -2.091 12.047 1.427 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -0.596 12.728 0.817 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -2.677 14.401 2.276 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -1.393 13.555 3.116 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -2.075 16.146 0.714 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -0.527 16.971 0.921 1.00 0.00 H new ATOM 1495 N LEU A 99 -2.791 11.286 -1.340 1.00 0.00 N ATOM 1496 CA LEU A 99 -2.662 10.311 -2.405 1.00 0.00 C ATOM 1497 C LEU A 99 -3.072 10.940 -3.744 1.00 0.00 C ATOM 1498 O LEU A 99 -2.308 10.873 -4.704 1.00 0.00 O ATOM 1499 CB LEU A 99 -3.466 9.061 -2.029 1.00 0.00 C ATOM 1500 CG LEU A 99 -3.426 7.925 -3.061 1.00 0.00 C ATOM 1501 CD1 LEU A 99 -2.000 7.481 -3.404 1.00 0.00 C ATOM 1502 CD2 LEU A 99 -4.171 6.728 -2.469 1.00 0.00 C ATOM 0 H LEU A 99 -3.435 11.018 -0.596 1.00 0.00 H new ATOM 0 HA LEU A 99 -1.626 9.997 -2.532 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -3.093 8.680 -1.078 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -4.505 9.350 -1.871 1.00 0.00 H new ATOM 0 HG LEU A 99 -3.885 8.291 -3.980 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -2.036 6.676 -4.138 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -1.446 8.324 -3.817 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -1.502 7.127 -2.501 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -4.159 5.903 -3.182 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -3.683 6.416 -1.545 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -5.202 7.010 -2.257 1.00 0.00 H new ATOM 1514 N LYS A 100 -4.239 11.589 -3.816 1.00 0.00 N ATOM 1515 CA LYS A 100 -4.678 12.256 -5.037 1.00 0.00 C ATOM 1516 C LYS A 100 -3.635 13.264 -5.523 1.00 0.00 C ATOM 1517 O LYS A 100 -3.304 13.281 -6.709 1.00 0.00 O ATOM 1518 CB LYS A 100 -6.046 12.930 -4.848 1.00 0.00 C ATOM 1519 CG LYS A 100 -7.155 11.876 -4.794 1.00 0.00 C ATOM 1520 CD LYS A 100 -8.573 12.457 -4.747 1.00 0.00 C ATOM 1521 CE LYS A 100 -8.930 13.241 -6.016 1.00 0.00 C ATOM 1522 NZ LYS A 100 -10.369 13.556 -6.060 1.00 0.00 N ATOM 0 H LYS A 100 -4.895 11.664 -3.039 1.00 0.00 H new ATOM 0 HA LYS A 100 -4.789 11.490 -5.805 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -6.047 13.516 -3.929 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -6.234 13.623 -5.668 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -7.068 11.229 -5.667 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -7.002 11.249 -3.916 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -9.290 11.647 -4.611 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -8.665 13.113 -3.881 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -8.352 14.164 -6.051 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -8.655 12.659 -6.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -10.579 14.101 -6.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -10.918 12.673 -6.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -10.627 14.117 -5.223 1.00 0.00 H new ATOM 1536 N GLU A 101 -3.110 14.090 -4.611 1.00 0.00 N ATOM 1537 CA GLU A 101 -2.084 15.077 -4.927 1.00 0.00 C ATOM 1538 C GLU A 101 -0.865 14.379 -5.544 1.00 0.00 C ATOM 1539 O GLU A 101 -0.408 14.757 -6.619 1.00 0.00 O ATOM 1540 CB GLU A 101 -1.693 15.857 -3.663 1.00 0.00 C ATOM 1541 CG GLU A 101 -2.818 16.767 -3.157 1.00 0.00 C ATOM 1542 CD GLU A 101 -2.523 17.265 -1.743 1.00 0.00 C ATOM 1543 OE1 GLU A 101 -1.672 18.172 -1.629 1.00 0.00 O ATOM 1544 OE2 GLU A 101 -3.129 16.716 -0.796 1.00 0.00 O ATOM 0 H GLU A 101 -3.389 14.089 -3.630 1.00 0.00 H new ATOM 0 HA GLU A 101 -2.478 15.788 -5.653 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -1.419 15.153 -2.877 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -0.810 16.460 -3.872 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -2.934 17.617 -3.829 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -3.763 16.223 -3.166 1.00 0.00 H new ATOM 1551 N PHE A 102 -0.350 13.355 -4.861 1.00 0.00 N ATOM 1552 CA PHE A 102 0.796 12.569 -5.307 1.00 0.00 C ATOM 1553 C PHE A 102 0.566 12.027 -6.720 1.00 0.00 C ATOM 1554 O PHE A 102 1.386 12.222 -7.622 1.00 0.00 O ATOM 1555 CB PHE A 102 1.027 11.426 -4.310 1.00 0.00 C ATOM 1556 CG PHE A 102 2.063 10.400 -4.731 1.00 0.00 C ATOM 1557 CD1 PHE A 102 3.435 10.703 -4.665 1.00 0.00 C ATOM 1558 CD2 PHE A 102 1.652 9.131 -5.181 1.00 0.00 C ATOM 1559 CE1 PHE A 102 4.390 9.726 -5.000 1.00 0.00 C ATOM 1560 CE2 PHE A 102 2.604 8.164 -5.547 1.00 0.00 C ATOM 1561 CZ PHE A 102 3.974 8.457 -5.444 1.00 0.00 C ATOM 0 H PHE A 102 -0.727 13.045 -3.965 1.00 0.00 H new ATOM 0 HA PHE A 102 1.683 13.202 -5.344 1.00 0.00 H new ATOM 0 HB2 PHE A 102 1.331 11.854 -3.355 1.00 0.00 H new ATOM 0 HB3 PHE A 102 0.079 10.914 -4.143 1.00 0.00 H new ATOM 0 HD1 PHE A 102 3.756 11.687 -4.357 1.00 0.00 H new ATOM 0 HD2 PHE A 102 0.599 8.899 -5.245 1.00 0.00 H new ATOM 0 HE1 PHE A 102 5.443 9.950 -4.916 1.00 0.00 H new ATOM 0 HE2 PHE A 102 2.283 7.198 -5.907 1.00 0.00 H new ATOM 0 HZ PHE A 102 4.708 7.709 -5.705 1.00 0.00 H new ATOM 1571 N LEU A 103 -0.556 11.335 -6.913 1.00 0.00 N ATOM 1572 CA LEU A 103 -0.897 10.746 -8.196 1.00 0.00 C ATOM 1573 C LEU A 103 -0.982 11.829 -9.269 1.00 0.00 C ATOM 1574 O LEU A 103 -0.360 11.700 -10.321 1.00 0.00 O ATOM 1575 CB LEU A 103 -2.203 9.956 -8.075 1.00 0.00 C ATOM 1576 CG LEU A 103 -2.075 8.761 -7.118 1.00 0.00 C ATOM 1577 CD1 LEU A 103 -3.463 8.171 -6.880 1.00 0.00 C ATOM 1578 CD2 LEU A 103 -1.108 7.690 -7.626 1.00 0.00 C ATOM 0 H LEU A 103 -1.249 11.170 -6.183 1.00 0.00 H new ATOM 0 HA LEU A 103 -0.114 10.050 -8.498 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -2.994 10.618 -7.722 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -2.502 9.599 -9.061 1.00 0.00 H new ATOM 0 HG LEU A 103 -1.652 9.123 -6.181 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -3.386 7.321 -6.202 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -4.110 8.929 -6.439 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -3.885 7.841 -7.829 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -1.060 6.872 -6.907 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -1.458 7.310 -8.586 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -0.116 8.124 -7.748 1.00 0.00 H new ATOM 1590 N ASP A 104 -1.719 12.909 -8.998 1.00 0.00 N ATOM 1591 CA ASP A 104 -1.853 14.026 -9.924 1.00 0.00 C ATOM 1592 C ASP A 104 -0.476 14.563 -10.318 1.00 0.00 C ATOM 1593 O ASP A 104 -0.184 14.706 -11.503 1.00 0.00 O ATOM 1594 CB ASP A 104 -2.716 15.126 -9.298 1.00 0.00 C ATOM 1595 CG ASP A 104 -2.852 16.311 -10.248 1.00 0.00 C ATOM 1596 OD1 ASP A 104 -3.706 16.212 -11.154 1.00 0.00 O ATOM 1597 OD2 ASP A 104 -2.096 17.287 -10.054 1.00 0.00 O ATOM 0 H ASP A 104 -2.238 13.030 -8.128 1.00 0.00 H new ATOM 0 HA ASP A 104 -2.347 13.677 -10.831 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -3.703 14.729 -9.060 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -2.270 15.455 -8.360 1.00 0.00 H new ATOM 1602 N ALA A 105 0.373 14.840 -9.325 1.00 0.00 N ATOM 1603 CA ALA A 105 1.723 15.344 -9.538 1.00 0.00 C ATOM 1604 C ALA A 105 2.537 14.414 -10.440 1.00 0.00 C ATOM 1605 O ALA A 105 3.330 14.885 -11.253 1.00 0.00 O ATOM 1606 CB ALA A 105 2.417 15.546 -8.189 1.00 0.00 C ATOM 0 H ALA A 105 0.135 14.718 -8.341 1.00 0.00 H new ATOM 0 HA ALA A 105 1.654 16.304 -10.050 1.00 0.00 H new ATOM 0 HB1 ALA A 105 3.427 15.923 -8.352 1.00 0.00 H new ATOM 0 HB2 ALA A 105 1.853 16.264 -7.594 1.00 0.00 H new ATOM 0 HB3 ALA A 105 2.466 14.595 -7.659 1.00 0.00 H new ATOM 1612 N ASN A 106 2.339 13.098 -10.320 1.00 0.00 N ATOM 1613 CA ASN A 106 3.079 12.130 -11.125 1.00 0.00 C ATOM 1614 C ASN A 106 2.497 12.063 -12.533 1.00 0.00 C ATOM 1615 O ASN A 106 3.247 12.046 -13.506 1.00 0.00 O ATOM 1616 CB ASN A 106 3.012 10.740 -10.487 1.00 0.00 C ATOM 1617 CG ASN A 106 4.092 10.532 -9.435 1.00 0.00 C ATOM 1618 OD1 ASN A 106 5.139 9.970 -9.731 1.00 0.00 O ATOM 1619 ND2 ASN A 106 3.841 10.962 -8.203 1.00 0.00 N ATOM 0 H ASN A 106 1.671 12.681 -9.672 1.00 0.00 H new ATOM 0 HA ASN A 106 4.119 12.453 -11.175 1.00 0.00 H new ATOM 0 HB2 ASN A 106 2.032 10.600 -10.031 1.00 0.00 H new ATOM 0 HB3 ASN A 106 3.114 9.982 -11.263 1.00 0.00 H new ATOM 0 HD21 ASN A 106 4.533 10.828 -7.465 1.00 0.00 H new ATOM 0 HD22 ASN A 106 2.957 11.426 -7.995 1.00 0.00 H new ATOM 1626 N LEU A 107 1.168 12.026 -12.656 1.00 0.00 N ATOM 1627 CA LEU A 107 0.498 11.993 -13.947 1.00 0.00 C ATOM 1628 C LEU A 107 0.882 13.240 -14.749 1.00 0.00 C ATOM 1629 O LEU A 107 1.227 13.146 -15.924 1.00 0.00 O ATOM 1630 CB LEU A 107 -1.018 11.907 -13.730 1.00 0.00 C ATOM 1631 CG LEU A 107 -1.463 10.530 -13.204 1.00 0.00 C ATOM 1632 CD1 LEU A 107 -2.853 10.652 -12.573 1.00 0.00 C ATOM 1633 CD2 LEU A 107 -1.508 9.486 -14.328 1.00 0.00 C ATOM 0 H LEU A 107 0.531 12.018 -11.860 1.00 0.00 H new ATOM 0 HA LEU A 107 0.809 11.116 -14.514 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -1.325 12.678 -13.023 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -1.528 12.115 -14.670 1.00 0.00 H new ATOM 0 HG LEU A 107 -0.736 10.201 -12.462 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -3.170 9.678 -12.200 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -2.817 11.363 -11.747 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -3.563 11.002 -13.322 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -1.826 8.526 -13.921 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -2.214 9.807 -15.094 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -0.516 9.383 -14.768 1.00 0.00 H new ATOM 1645 N ALA A 108 0.849 14.408 -14.104 1.00 0.00 N ATOM 1646 CA ALA A 108 1.233 15.669 -14.720 1.00 0.00 C ATOM 1647 C ALA A 108 2.682 15.591 -15.200 1.00 0.00 C ATOM 1648 O ALA A 108 3.157 16.495 -15.884 1.00 0.00 O ATOM 1649 CB ALA A 108 1.046 16.805 -13.709 1.00 0.00 C ATOM 0 H ALA A 108 0.552 14.500 -13.133 1.00 0.00 H new ATOM 0 HA ALA A 108 0.601 15.867 -15.585 1.00 0.00 H new ATOM 0 HB1 ALA A 108 1.333 17.751 -14.168 1.00 0.00 H new ATOM 0 HB2 ALA A 108 0.001 16.852 -13.404 1.00 0.00 H new ATOM 0 HB3 ALA A 108 1.671 16.621 -12.835 1.00 0.00 H new